;
;	File 'SOD.top' was generated
;	By user: onbekend (0)
;	On host: onbekend
;	At date: Wed May 30 18:31:21 2012
;
;	This is a standalone topology file
;
;	It was generated using program:
;	pdb2gmx - VERSION 4.5.4
;
;	Command line was:
;	/home/steven/gro3/bin/pdb2gmx -f SOD.pdb -o SOD.gro -q SOD.pdb -p SOD.top -i SOD.itp -n SOD.ndx -water tip3p -ff charmm27 
;
;	Force field was read from the standard Gromacs share directory.
;

; Include forcefield parameters
#include "charmm27.ff/forcefield.itp"

[ moleculetype ]
; Name            nrexcl
Other_chain_I       3

[ atoms ]
;   nr       type  resnr residue  atom   cgnr     charge       mass  typeB    chargeB      massB
; residue   1 SOD rtp SOD  q +1.0
     1        SOD      1    SOD    SOD      1          1    22.9898   ; qtot 1

; Include Position restraint file
#ifdef POSRES
#include "SOD.itp"
#endif

; Include water topology
#include "charmm27.ff/tip3p.itp"

#ifdef POSRES_WATER
; Position restraint for each water oxygen
[ position_restraints ]
;  i funct       fcx        fcy        fcz
   1    1       1000       1000       1000
#endif

; Include topology for ions
#include "charmm27.ff/ions.itp"

[ system ]
; Name
Protein in water

[ molecules ]
; Compound        #mols
Other_chain_I       1
SOL              2176