

[ 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   mass
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
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
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 CHARMM27 parameters
1   MG      1   MG      MG   1  2        
#endif

[ 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
Ces     1

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

[ moleculetype ]
; molname   nrexcl
Cal     1

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

[ 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
ZN      1

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