; This force field generated by charmm2gmx.py from
; multiple charmm parameter files 
; and multiple charmm topology files
  ALG1     26.98154 ; Aluminum, for ALF4, AlF4-
   BAR    137.32700 ; Barium Ion
 BRGA1     79.90400 ; BRET, bromoethane
 BRGA2     79.90400 ; DBRE, 1,1-dibromoethane
 BRGA3     79.90400 ; TBRE, 1,1,1-dibromoethane
 BRGR1     79.90400 ; BROB, bromobenzene
     C     12.01100 ; carbonyl C, peptide backbone
    CA     12.01100 ; aromatic C
   CAD    112.41100 ; cadmium (II) cation
   CAI     12.01100 ; aromatic C next to CPT in trp
   CAL     40.08000 ; Calcium Ion
    CC     12.01100 ; carbonyl C, asn,asp,gln,glu,cter,ct2
  CC1A     12.01100 ; alkene conjugation
  CC1B     12.01100 ; alkene conjugation
   CC2     12.01100 ; alkene conjugation
 CC2O1     12.01100 ; sp2 carbon in amides, aldoses
 CC2O2     12.01100 ; sp2 carbon in carboxylates
 CC2O3     12.01100 ; sp2 carbon in acetone, ketoses
 CC2O4     12.01100 ; c22 CD
 CC2O5     12.01100 ; carbonyl C on acetyl
 CC301     12.01100 ; aliphatic C, no H's
CC3051     12.01100 ; furan ring carbon; C2 fructose
CC3062     12.01100 ; C2 on NE5AC
 CC30A     12.01100 ; -C(sp3)   Carbon (eq. CT)
 CC311     12.01100 ; generic acyclic CH carbon
CC311C     12.01100 ; patch C1 in model compound
CC311D     12.01100 ; patch C1 in model compound
 CC312     12.01100 ; CH carbon in linear polyols
CC312C     12.01100 ; tf2m CH1
CC312D     12.01100 ; from CC322C; THF anomeric carbon
CC3151     12.01100 ; furan ring carbon
CC3152     12.01100 ; furan ring carbon
CC3153     12.01100 ; furan ring carbon
CC3161     12.01100 ; C2, C3, C4 CH bound to OH
CC3162     12.01100 ; C1 (anomeric) CH bound to OH
CC3163     12.01100 ; C5 CH bound to exocylic CH2OH
 CC31A     12.01100 ; -C(sp3)H  Carbon (eq. CT1)
 CC321     12.01100 ; generic acyclic CH2 carbon (hexopyranose C6)
CC321C     12.01100 ; cyclohexane, thp CH2
CC321D     12.01100 ; cyclohexane, thp CH2 model for 1-1 linkage
 CC322     12.01100 ; CH2 carbon in linear polyols erh
CC322C     12.01100 ; cyclopentane, thf CH2
CC3251     12.01100 ; furan ring carbon; C2 deoxy
CC325A     12.01100 ; -C(sp3)H2 Carbon in 5-membered ring
CC325B     12.01100 ; -C(sp3)H2 Carbon in THF (tetrahydrofuran)
CC3261     12.01100 ; C3 on NE5AC
CC3263     12.01100 ; C5 in xylose
CC326A     12.01100 ; -C(sp3)H2 Carbon in THP (tetrahydropyran)
 CC32A     12.01100 ; -C(sp3)H2 Carbon (eq. CT2)
 CC331     12.01100 ; generic acyclic CH3 carbon (xyl C6, glcna/galna CT)
 CC33A     12.01100 ; -C(sp3)H3 Carbon (eq. CT3)
   CCL     12.01100 ; for POPS
    CD     12.01100 ; carbonyl C, pres aspp,glup,ct1
   CE1     12.01100 ; for alkene; RHC=CR
   CE2     12.01100 ; for alkene; H2C=CR
  CEL1     12.01100 ; for alkene; RHC=CR
  CEL2     12.01100 ; for alkene; H2C=CR. Currently unused.
   CES    132.90545 ; Cesium Ion
 CG1N1     12.01100 ; C for cyano group
 CG1T1     12.01100 ; internal alkyne R-C#C
 CG1T2     12.01100 ; terminal alkyne H-C#C
CG251O     12.01100 ; same as CG2D1O but in 5-membered ring with exocyclic double bond
CG252O     12.01100 ; same as CG2D2O but in 5-membered ring with exocyclic double bond
CG25C1     12.01100 ; same as CG2DC1 but in 5-membered ring with exocyclic double bond
CG25C2     12.01100 ; same as CG2DC2 but in 5-membered ring with exocyclic double bond
 CG2D1     12.01100 ; alkene; RHC= ; imine C
CG2D1O     12.01100 ; double bond carbon adjacent to heteroatom. In conjugated systems, the atom to which it is double bonded must be CG2DC1.
 CG2D2     12.01100 ; alkene; H2C=
CG2D2O     12.01100 ; double bond carbon adjacent to heteroatom. In conjugated systems, the atom to which it is double bonded must be CG2DC2.
CG2DC1     12.01100 ; conjugated alkenes, R2C=CR2
CG2DC2     12.01100 ; conjugated alkenes, R2C=CR2
CG2DC3     12.01100 ; conjugated alkenes, H2C=
 CG2N1     12.01100 ; conjugated C in guanidine/guanidinium
 CG2N2     12.01100 ; conjugated C in amidinium cation
 CG2O1     12.01100 ; carbonyl C: amides
 CG2O2     12.01100 ; carbonyl C: esters, [neutral] carboxylic acids
 CG2O3     12.01100 ; carbonyl C: [negative] carboxylates
 CG2O4     12.01100 ; carbonyl C: aldehydes
 CG2O5     12.01100 ; carbonyl C: ketones
 CG2O6     12.01100 ; carbonyl C: urea, carbonate
 CG2O7     12.01100 ; CO2 carbon
CG2R51     12.01100 ; 5-mem ring, his CG, CD2(0), trp
CG2R52     12.01100 ; 5-mem ring, double bound to N, PYRZ, pyrazole
CG2R53     12.01100 ; 5-mem ring, double bound to N and adjacent to another heteroatom, purine C8, his CE1 (0,+1), 2PDO, kevo
CG2R57     12.01100 ; 5-mem ring, bipyrroles
CG2R61     12.01100 ; 6-mem aromatic C
CG2R62     12.01100 ; 6-mem aromatic C for protonated pyridine (NIC) and rings containing carbonyls (see CG2R63) (NA)
CG2R63     12.01100 ; 6-mem aromatic amide carbon (NA) (and other 6-mem aromatic carbonyls?)
CG2R64     12.01100 ; 6-mem aromatic amidine and guanidine carbon (between 2 or 3 Ns and double-bound to one of them), NA, PYRM
CG2R66     12.01100 ; 6-mem aromatic carbon bound to F
CG2R67     12.01100 ; 6-mem aromatic carbon of biphenyl
CG2R71     12.01100 ; 7-mem ring arom C, AZUL, azulene, kevo
CG2RC0     12.01100 ; 6/5-mem ring bridging C, guanine C4,C5, trp
CG2RC7     12.01100 ; sp2 ring connection with single bond(!), AZUL, azulene, kevo
 CG301     12.01100 ; aliphatic C, no hydrogens, neopentane
 CG302     12.01100 ; aliphatic C, no hydrogens, trifluoromethyl
 CG311     12.01100 ; aliphatic C with 1 H, CH
 CG312     12.01100 ; aliphatic C with 1 H, difluoromethyl
 CG314     12.01100 ; aliphatic C with 1 H, adjacent to positive N (PROT NTER) (+)
 CG321     12.01100 ; aliphatic C for CH2
 CG322     12.01100 ; aliphatic C for CH2, monofluoromethyl
 CG323     12.01100 ; aliphatic C for CH2, thiolate carbon
 CG324     12.01100 ; aliphatic C for CH2, adjacent to positive N (piperidine) (+)
 CG331     12.01100 ; aliphatic C for methyl group (-CH3)
 CG334     12.01100 ; aliphatic C for methyl group (-CH3), adjacent to positive N (PROT NTER) (+)
CG3AM0     12.01100 ; aliphatic C for CH3, NEUTRAL trimethylamine methyl carbon (#)
CG3AM1     12.01100 ; aliphatic C for CH3, NEUTRAL dimethylamine methyl carbon (#)
CG3AM2     12.01100 ; aliphatic C for CH3, NEUTRAL methylamine methyl carbon (#)
CG3C31     12.01100 ; cyclopropyl carbon
CG3C41     12.01100 ; cyclobutyl carbon
CG3C50     12.01100 ; 5-mem ring aliphatic quaternary C (cholesterol, bile acids)
CG3C51     12.01100 ; 5-mem ring aliphatic CH  (proline CA, furanoses)
CG3C52     12.01100 ; 5-mem ring aliphatic CH2 (proline CB/CG/CD, THF, deoxyribose)
CG3C53     12.01100 ; 5-mem ring aliphatic CH  adjacent to positive N (proline.H+ CA) (+)
CG3C54     12.01100 ; 5-mem ring aliphatic CH2 adjacent to positive N (proline.H+ CD) (+)
CG3RC1     12.01100 ; bridgehead in bicyclic systems containing at least one 5-membered or smaller ring
    CL     12.01100 ; carbonyl C (acetic acid/methyl acetate)
   CLA     35.45000 ; Chloride Ion
 CLGA1     35.45300 ; CLET, DCLE, chloroethane, 1,1-dichloroethane
 CLGA3     35.45300 ; TCLE, 1,1,1-trichloroethane
 CLGR1     35.45300 ; CHLB, chlorobenzene
    CM     12.01100 ; heme CO carbon
   CN1     12.01100 ; Nucleic acid carbonyl carbon
  CN1T     12.01100 ; Nucleic acid carbonyl carbon (T/U C2)
   CN2     12.01100 ; Nucleic acid aromatic carbon to amide
   CN3     12.01100 ; Nucleic acid aromatic carbon
  CN3D     12.01100 ; Nucleic acid aromatic carbon for 5MC
  CN3T     12.01100 ; Nucleic acid aromatic carbon, Thy C5
   CN4     12.01100 ; Nucleic acid purine C8 and ADE C2
   CN5     12.01100 ; Nucleic acid purine C4 and C5
  CN5G     12.01100 ; Nucleic acid guanine C5
   CN6     12.01100 ; MASS  -1  CN6      12.011000 C
   CN7     12.01100 ; Nucleic acid carbon (equivalent to protein CT1)
  CN7B     12.01100 ; Nucleic acid aliphatic carbon for C1'
  CN7E     12.01100 ; MASS  -1  CN7E     12.011000 C
   CN8     12.01100 ; Nucleic acid carbon (equivalent to protein CT2)
  CN8B     12.01100 ; Nucleic acid carbon (equivalent to protein CT2)
   CN9     12.01100 ; Nucleic acid carbon (equivalent to protein CT3)
   CNA     12.01100 ; pure aromatic carbon
  CNA2     12.01100 ; pure aromatic carbon bound to F
  CNE1     12.01100 ; for alkene; RHC=CR (modified thy patch Sasha)
  CNE2     12.01100 ; for alkene; H2C=CR (modified thy patch Sasha)
   CNG     12.01100 ; guanidinium type carbon
   CP1     12.01100 ; tetrahedral C (proline CA)
   CP2     12.01100 ; tetrahedral C (proline CB/CG)
   CP3     12.01100 ; tetrahedral C (proline CD)
   CPA     12.01100 ; heme alpha-C
   CPB     12.01100 ; heme beta-C
  CPD1     12.01100 ; added for D-proline
  CPH1     12.01100 ; his CG and CD2 carbons
  CPH2     12.01100 ; his CE1 carbon
   CPM     12.01100 ; heme meso-C
   CPT     12.01100 ; trp C between rings
  CRL1     12.01100 ; sp3 carbon with 1 H on a ring  (-CH1-) for sterols
  CRL2     12.01100 ; carbon of methylene group on a ring (-CH2-) for sterols
    CS     12.01100 ; thiolate carbon
   CST     12.01100 ; CO2 carbon
    CT     12.01100 ; aliphatic sp3 C, new LJ params, no hydrogens
   CT1     12.01100 ; aliphatic sp3 C for CH
   CT2     12.01100 ; aliphatic sp3 C for CH2
  CT2A     12.01100 ; from CT2 (asp, glu, hsp chi1/chi2 fitting)
   CT3     12.01100 ; aliphatic sp3 C for CH3
  CTD1     12.01100 ; added for D-amino acids
  CTL1     12.01100 ; sp3 carbon with 1 H  (-CH1-)
  CTL2     12.01100 ; carbon of methylene group (-CH2-)
  CTL3     12.01100 ; carbon of methyl group (-CH3)
  CTL5     12.01100 ; carbon of methyl group (-CH3) for tetramethylammonium
    CY     12.01100 ; TRP C in pyrrole ring
    FE     55.84700 ; heme iron 56
  FGA1     18.99800 ; aliphatic fluorine, monofluoro
  FGA2     18.99800 ; aliphatic fluorine, difluoro
  FGA3     18.99800 ; aliphatic fluorine, trifluoro
  FGP1     18.99800 ; anionic F, for ALF4 AlF4-
  FGR1     18.99800 ; aromatic flourine
   FNA     18.99840 ; Aromatic fluorine
     H      1.00800 ; polar H
    HA      1.00800 ; nonpolar H
   HA1      1.00800 ; alkane, CH, new LJ params (see toppar_all22_prot_aliphatic_c27.str)
   HA2      1.00800 ; alkane, CH2, new LJ params (see toppar_all22_prot_aliphatic_c27.str)
   HA3      1.00800 ; alkane, CH3, new LJ params (see toppar_all22_prot_aliphatic_c27.str)
  HAL1      1.00800 ; alphatic proton
  HAL2      1.00800 ; alphatic proton
  HAL3      1.00800 ; alphatic proton
   HB1      1.00800 ; backbone H
   HB2      1.00800 ; aliphatic backbone H, to CT2
   HBL      1.00800 ; POPS SER backbone H
    HC      1.00800 ; N-ter H
  HCA1      1.00800 ; aliphatic proton, CH
 HCA1A      1.00800 ; Alkane H attached to C(sp3)H  (eq. HA1)
HCA1C2      1.00800 ; tf2m aliphatic proton, CH1
  HCA2      1.00800 ; aliphatic proton, CH2
HCA25A      1.00800 ; Alkane H attached to C(sp3)H2 in 5-membered ring
 HCA2A      1.00800 ; Alkane H attached to C(sp3)H2 (eq. HA2)
HCA2C2      1.00800 ; cyclopentane, thp aliphatic proton, CH2
  HCA3      1.00800 ; aliphatic proton, CH3
 HCA3A      1.00800 ; Alkane H attached to C(sp3)H3 (eq. HA3)
 HCA3M      1.00800 ; alcohol aliphatic proton, CH3
   HCL      1.00800 ; charged H for PE (equivalent to protein HC)
  HCP1      1.00800 ; polar H
 HCP1M      1.00800 ; EGLY hydroxyl H
  HCR1      1.00800 ; c22 HR1
   HE1      1.00800 ; for alkene; RHC=CR
   HE2      1.00800 ; for alkene; H2C=CR
  HEL1      1.00800 ; for alkene; RHC=CR
  HEL2      1.00800 ; for alkene; H2C=CR. Currently unused.
  HGA1      1.00800 ; alphatic proton, CH
  HGA2      1.00800 ; alphatic proton, CH2
  HGA3      1.00800 ; alphatic proton, CH3
  HGA4      1.00800 ; alkene proton; RHC=
  HGA5      1.00800 ; alkene proton; H2C=CR
  HGA6      1.00800 ; aliphatic H on fluorinated C, monofluoro
  HGA7      1.00800 ; aliphatic H on fluorinated C, difluoro
HGAAM0      1.00800 ; aliphatic H, NEUTRAL trimethylamine (#)
HGAAM1      1.00800 ; aliphatic H, NEUTRAL dimethylamine (#)
HGAAM2      1.00800 ; aliphatic H, NEUTRAL methylamine (#)
  HGP1      1.00800 ; polar H
  HGP2      1.00800 ; polar H, +ve charge
  HGP3      1.00800 ; polar H, thiol
  HGP4      1.00800 ; polar H, neutral conjugated -NH2 group (NA bases)
  HGP5      1.00800 ; polar H on quarternary ammonium salt (choline)
HGPAM1      1.00800 ; polar H, NEUTRAL dimethylamine (#), terminal alkyne H
HGPAM2      1.00800 ; polar H, NEUTRAL methylamine (#)
HGPAM3      1.00800 ; polar H, NEUTRAL ammonia (#)
 HGR51      1.00800 ; nonpolar H, neutral 5-mem planar ring C, LJ based on benzene
 HGR52      1.00800 ; Aldehyde H, formamide H (RCOH); nonpolar H, neutral 5-mem planar ring C adjacent to heteroatom or + charge
 HGR53      1.00800 ; nonpolar H, +ve charge HIS he1(+1)
 HGR61      1.00800 ; aromatic H
 HGR62      1.00800 ; nonpolar H, neutral 6-mem planar ring C adjacent to heteroatom
 HGR63      1.00800 ; nonpolar H, NAD+ nicotineamide all ring CH hydrogens
 HGR71      1.00800 ; nonpolar H, neutral 7-mem arom ring, AZUL, azulene, kevo
    HL      1.00800 ; polar H (equivalent to protein H)
   HN1      1.00800 ; Nucleic acid amine proton
   HN2      1.00800 ; Nucleic acid ring nitrogen proton
   HN3      1.00800 ; Nucleic acid aromatic carbon proton
   HN4      1.00800 ; Nucleic acid phosphate hydroxyl proton
   HN5      1.00800 ; Nucleic acid ribose hydroxyl proton
   HN6      1.00800 ; Nucleic acid ribose aliphatic proton
   HN7      1.00800 ; Nucleic acid proton (equivalent to protein HA)
   HN8      1.00800 ; Bound to CN8 in nucleic acids/model compounds
   HN9      1.00800 ; Bound to CN9 in nucleic acids/model compounds
  HNE1      1.00800 ; for alkene; RHC=CR (modified thy patch Sasha)
  HNE2      1.00800 ; for alkene; H2C=CR (modified thy patch Sasha)
   HNP      1.00800 ; pure aromatic H
   HOL      1.00800 ; Nucleic acid phosphate hydroxyl proton
    HP      1.00800 ; aromatic H
   HR1      1.00800 ; his he1, (+) his HG,HD2
   HR2      1.00800 ; (+) his HE1
   HR3      1.00800 ; neutral his HG, HD2
    HS      1.00800 ; thiol hydrogen
    HT      1.00800 ; TIPS3P WATER HYDROGEN
    HX      1.00800 ; hydroxide hydrogen
  IGR1    126.90447 ; IODB, iodobenzene
   LIT      6.94100 ; Lithium ion
   LPH      0.00000 ; Lone pair for halogens
    MG     24.30500 ; Magnesium Ion
     N     14.00700 ; proline N
   NC2     14.00700 ; guanidinium nitrogen
 NC2D1     14.00700 ; peptide, NMA, IPAA nitrogen (C=NHR)
 NC311     14.00700 ; Sulfamate nitrogen
 NG1T1     14.00700 ; N for cyano group
 NG2D1     14.00700 ; N for neutral imine/Schiff's base (C=N-R, acyclic amidine, gunaidine)
 NG2O1     14.00700 ; NITB, nitrobenzene
 NG2P1     14.00700 ; N for protonated imine/Schiff's base (C=N(+)H-R, acyclic amidinium, guanidinium)
NG2R43     14.00700 ; amide in 4-memebered ring (planar), AZDO, lsk
NG2R50     14.00700 ; double bound neutral 5-mem planar ring, purine N7
NG2R51     14.00700 ; single bound neutral 5-mem planar (all atom types sp2) ring, his, trp pyrrole (fused)
NG2R52     14.00700 ; protonated schiff base, amidinium, guanidinium in 5-membered ring, HIS, 2HPP, kevo
NG2R53     14.00700 ; amide in 5-memebered NON-SP2 ring (slightly pyramidized), 2PDO, kevo
NG2R57     14.00700 ; 5-mem ring, bipyrroles
NG2R60     14.00700 ; double bound neutral 6-mem planar ring, pyr1, pyzn
NG2R61     14.00700 ; single bound neutral 6-mem planar ring imino nitrogen; glycosyl linkage
NG2R62     14.00700 ; double bound 6-mem planar ring with heteroatoms in o or m, pyrd, pyrm
NG2R67     14.00700 ; 6-mem planar ring substituted with 6-mem planar ring (N-phenyl pyridinones etc.)
NG2RC0     14.00700 ; 6/5-mem ring bridging N, indolizine, INDZ, kevo
 NG2S0     14.00700 ; N,N-disubstituted amide, proline N (CO=NRR')
 NG2S1     14.00700 ; peptide nitrogen (CO=NHR)
 NG2S2     14.00700 ; terminal amide nitrogen (CO=NH2)
 NG2S3     14.00700 ; external amine ring nitrogen (planar/aniline), phosphoramidate
 NG301     14.00700 ; neutral trimethylamine nitrogen
 NG311     14.00700 ; neutral dimethylamine nitrogen
 NG321     14.00700 ; neutral methylamine nitrogen
 NG331     14.00700 ; neutral ammonia nitrogen
NG3C51     14.00700 ; secondary sp3 amine in 5-membered ring
 NG3N1     14.00700 ; N in hydrazine, HDZN
 NG3P0     14.00700 ; quarternary N+, choline
 NG3P1     14.00700 ; tertiary NH+ (PIP)
 NG3P2     14.00700 ; secondary NH2+ (proline)
 NG3P3     14.00700 ; primary NH3+, phosphatidylethanolamine
   NH1     14.00700 ; peptide nitrogen
   NH2     14.00700 ; amide nitrogen
   NH3     14.00700 ; ammonium nitrogen
  NH3L     14.00700 ; nitrogen phosphatidylethanolamine
   NN1     14.00700 ; Nucleic acid amide nitrogen
  NN1C     14.00700 ; Nucleic acid imino nitrogen (cyt taut Sasha)
   NN2     14.00700 ; Nucleic acid protonated ring nitrogen
  NN2B     14.00700 ; From NN2, for N9 in GUA different from ADE
  NN2C     14.00700 ; Nucleic acid protonated ring nitrogen (cyt taut Sasha)
  NN2G     14.00700 ; Nucleic acid protonated ring nitrogen, gua N1
  NN2U     14.00700 ; Nucleic acid protonated ring nitrogen, ura N3
   NN3     14.00700 ; Nucleic acid unprotonated ring nitrogen
  NN3A     14.00700 ; Nucleic acid unprotonated ring nitrogen, ade N1 and N3
  NN3G     14.00700 ; Nucleic acid unprotonated ring nitrogen, gua N3
  NN3I     14.00700 ; Nucleic acid unprotonated ring nitrogen, inosine N3
   NN4     14.00700 ; Nucleic acid purine N7
   NN6     14.00700 ; Nucleic acid sp3 amine nitrogen (equiv to protein nh3)
   NNG     14.00700 ; guanidinium type nitrogen
    NP     14.00700 ; Proline ring NH2+ (N-terminal)
   NPH     14.00700 ; heme pyrrole N
   NR1     14.00700 ; neutral his protonated ring nitrogen
   NR2     14.00700 ; neutral his unprotonated ring nitrogen
   NR3     14.00700 ; charged his ring nitrogen
   NS1     14.00700 ; N for deprotonated Schiff's base
   NS2     14.00700 ; N for protonated Schiff's base
   NTL     14.00700 ; ammonium nitrogen
    NY     14.00700 ; TRP N in pyrrole ring
     O     15.99900 ; carbonyl oxygen
   O2L     15.99940 ; Nucleic acid =O in phosphate or sulfate
    OB     15.99900 ; carbonyl oxygen in acetic acid
   OBL     15.99940 ; acetic acid carboxyl oxygen (e. to protein OB)
    OC     15.99900 ; carboxylate oxygen
 OC2D1     15.99940 ; sp2 oxygen in amides, aldoses
 OC2D2     15.99940 ; sp2 oxygen in carboxylates
 OC2D3     15.99940 ; sp2 oxygen in acetone, ketoses
 OC2D4     15.99940 ; par22 O
 OC2DP     15.99940 ; =0 in P03H (phosphate) || O2L in top_all27_lipid.rtf
 OC301     15.99940 ; generic linear ether
 OC302     15.99940 ; linear ether in 1-1 glycosidic linkage
 OC303     15.99940 ; from OC301; linear ether in P1->F3 pyranose-furanose glycosidic linkage
OC305A     15.99940 ; Ether Oxygen in THF
 OC30A     15.99940 ; Ether Oxygen
 OC30P     15.99940 ; ester O in PO3H (phosphate) || OSL in top_all27_lipid.rtf
 OC311     15.99940 ; hydroxyl oxygen
OC311M     15.99940 ; MEOH, ETOH, PRO2, EGLY hydroxyl O
 OC312     15.99940 ; OH in PO3H (phosphate) || OHL in top_all27_lipid.rtf
OC3C51     15.99940 ; furan ring oxygen
OC3C5M     15.99940 ; thf ring oxygen
OC3C61     15.99940 ; ether in six membered ring
   OCL     15.99940 ; acetate oxygen
 OG2D1     15.99940 ; carbonyl O: amides, esters, [neutral] carboxylic acids, aldehydes, uera
 OG2D2     15.99940 ; carbonyl O: negative groups: carboxylates, carbonate
 OG2D3     15.99940 ; carbonyl O: ketones
 OG2D4     15.99940 ; 6-mem aromatic carbonyl oxygen (nucleic bases)
 OG2D5     15.99940 ; CO2 oxygen
 OG2N1     15.99940 ; NITB, nitrobenzene
 OG2P1     15.99940 ; =O in phosphate or sulfate
OG2R50     15.99940 ; FURA, furan
 OG301     15.99940 ; ether -O- !SHOULD WE HAVE A SEPARATE ENOL ETHER??? IF YES, SHOULD WE MERGE IT WITH OG3R60???
 OG302     15.99940 ; ester -O-
 OG303     15.99940 ; phosphate/sulfate ester oxygen
 OG304     15.99940 ; linkage oxygen in pyrophosphate/pyrosulphate
 OG311     15.99940 ; hydroxyl oxygen
 OG312     15.99940 ; ionized alcohol oxygen
OG3C31     15.99940 ; epoxide oxygen, 1EOX, 1BOX, sc
OG3C51     15.99940 ; 5-mem furanose ring oxygen (ether)
OG3C61     15.99940 ; DIOX, dioxane, ether in 6-membered ring !SHOULD WE MERGE THIS WITH OG3R60???
OG3R60     15.99940 ; O in 6-mem cyclic enol ether (PY01, PY02) or ester
   OH1     15.99900 ; hydroxyl oxygen
   OHL     15.99940 ; Nucleic acid phosphate hydroxyl oxygen
    OM     15.99900 ; heme CO/O2 oxygen
   ON1     15.99940 ; Nucleic acid carbonyl oxygen
  ON1C     15.99940 ; Nucleic acid carbonyl oxygen, cyt O2
   ON2     15.99940 ; Nucleic acid phosphate ester oxygen
  ON2M     15.99940 ; ether oxygen for methylated C2' of ribose
   ON3     15.99940 ; Nucleic acid =O in phosphate
   ON4     15.99940 ; Nucleic acid phosphate hydroxyl oxygen
   ON5     15.99940 ; Nucleic acid ribose hydroxyl oxygen
   ON6     15.99940 ; Nucleic acid deoxyribose ring oxygen
  ON6B     15.99940 ; Nucleic acid ribose ring oxygen
    OS     15.99940 ; ester oxygen
   OSL     15.99940 ; ester oxygen
  OSLP     15.99940 ; Phosphate oxygen, to avoid conflict with methylacetate type O
   OST     15.99900 ; CO2 oxygen
    OT     15.99940 ; TIPS3P WATER OXYGEN
    OX     15.99940 ; hydroxide oxygen
     P     30.97400 ; phosphorus
    P2     30.97400 ; phosphorus, adm, 2011 DNA update
    PC     30.97400 ; phosphorus || PL in top_all27_lipid.rtf
   PG0     30.97380 ; neutral phosphate
   PG1     30.97380 ; phosphate -1
   PG2     30.97380 ; phosphate -2
    PL     30.97400 ; phosphorus
   POT     39.09830 ; Potassium Ion
   RUB     85.46780 ; Rubidium Ion
     S     32.06000 ; sulphur
    SC     32.06000 ; Sulfate sulfur
 SEGD1     78.96000 ; selenocarbonyl Se
 SG2D1     32.06000 ; thiocarbonyl S
SG2R50     32.06000 ; THIP, thiophene
 SG301     32.06000 ; sulfur C-S-S-C type
 SG302     32.06000 ; thiolate sulfur (-1)
 SG311     32.06000 ; sulphur, SH, -S-
 SG3O1     32.06000 ; sulfate -1 sulfur
 SG3O2     32.06000 ; neutral sulfone/sulfonamide sulfur
 SG3O3     32.06000 ; neutral sulfoxide sulfur
    SL     32.06000 ; Sulfate sulfur
    SM     32.06000 ; sulfur C-S-S-C type
   SOD     22.98977 ; Sodium Ion
    SS     32.06000 ; thiolate sulfur
    ZN     65.37000 ; zinc (II) cation
   MGA     24.30500 ; Updated Mg2+    
   HT0      1.00800 ; TIP3P WATER HYDROGEN
  OWT4     15.99940 ; TIP4P
  HWT4      1.00800 ; TIP4P
  MWT4      0.00000 ; TIP4P
  MNH3      0.00000 ; vsite (rigid tetrahedrical NH3 group)
  MNH2      0.00000 ; vsite
  MCH3      0.00000 ; vsite (rigid CH3 group)
 MCH3S      0.00000 ; vsite
    MW      0.00000 ; vsite
  ON2B     15.99940 ; for phospho residues
    SP     32.06000 ; for S-adenosyl methionine
DUM_NN2   14.007000
DUM_CN5   12.011000
DUM_NN4   14.007000
DUM_CN4   12.011000
DUM_HN3    1.008000
DUM_NN3A   14.007000
DUM_CN2   12.011000
DUM_NN1   14.007000
DUM_HN1    1.008000
DUM_NN2B   14.007000
DUM_CN3   12.011000
DUM_CN1T   12.011000
DUM_ON1   15.999400
DUM_NN2U   14.007000
DUM_HN2    1.008000
DUM_CN1   12.011000
DUM_CN3T   12.011000
DUM_CN9   12.011000
DUM_HN9    1.008000
DUM_ON1C   15.999400
DUM_NN3   14.007000
DUM_P2   30.974000
DUM_ON3   15.999400
DUM_ON2   15.999400
DUM_CN8B   12.011000
DUM_HN8    1.008000
DUM_CN7   12.011000
DUM_HN7    1.008000
DUM_ON6   15.999400
DUM_CN7B   12.011000
DUM_CN8   12.011000
DUM_NN3G   14.007000
DUM_NN2G   14.007000
DUM_CN5G   12.011000
DUM_ON5   15.999400
DUM_HN5    1.008000
DUM_HA2    1.008000
DUM_HA3    1.008000
DUM_CT3   12.011000
DUM_OB   15.999000
DUM_OH1   15.999000
DUM_H     1.008000
DUM_S    32.060000
DUM_HS    1.008000
DUM_OC   15.999000
DUM_CC   12.011000
DUM_CA   12.011000
DUM_HP    1.008000
DUM_CPH1   12.011000
DUM_NR1   14.007000
DUM_HR3    1.008000
DUM_CPH2   12.011000
DUM_HR1    1.008000
DUM_NR2   14.007000
DUM_CD   12.011000
DUM_CT2   12.011000
DUM_NH3   14.007000
DUM_HC    1.008000
DUM_HA1    1.008000
DUM_O    15.999000
DUM_NH2   14.007000
DUM_NC2   14.007000
DUM_C    12.011000
DUM_CY   12.011000
DUM_CPT   12.011000
DUM_NY   14.007000
DUM_CAI   12.011000
DUM_NR3   14.007000
DUM_HR2    1.008000
DUM_HB1    1.008000
DUM_HB2    1.008000
DUM_CT1   12.011000
DUM_CT2A   12.011000
DUM_SS   32.060000
DUM_CS   12.011000
DUM_CP2   12.011000
DUM_CP3   12.011000
