

[ moleculetype ] ; added by Bjelkmar Jan 2010, from c32b1/toppar/stream/toppar_water_ions.str
; molname   nrexcl
OH      1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge
1       OC          1       OH          O1       1      -1.32
2       H           1       OH          H1       1       0.32

[ bonds ]
;i  j   funct   length  force.c.
1   2   1   0.09700 456056   ; hydroxyl bond

[ moleculetype ]
; molname   nrexcl
LI      1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   
1       LIT         1       LI          LI       1      1  

[ moleculetype ]
; molname   nrexcl
NA      1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   
1       SOD         1       NA          NA       1      1        

[ moleculetype ]
; molname   nrexcl
K       1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   
1       POT         1       K           K        1      1        

[ moleculetype ]
; molname   nrexcl
CS      1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   
1       CES         1       Ces         Ces      1      1        

[ moleculetype ]
; molname   nrexcl
CL      1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   
1       CLA         1       CL          CL       1      -1   

[ moleculetype ]
; molname   nrexcl
CA      1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   
1       CAL         1       Cal         Cal      1      2   

[ moleculetype ]
; molname   nrexcl
MG      1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge
#ifdef MG_ALLNER
; Use parameters from Allner et al. (DOI: 10.1021/ct3000734)
1       MGA         1       MG          MG       1      2
#else
; Standard CHARMM parameters
1       MG          1       MG          MG       1      2
#endif

[ moleculetype ]
; molname   nrexcl
ZN      1

[ atoms ]
; id    at type     res nr  residu name at name  cg nr  charge   
1       ZN          1       ZN          ZN       1      2   
