[gmx-users] Syntax error - File lig.prm, line 2 Last line read:
Nikhil Maroli
scinikhil at gmail.com
Fri Mar 11 05:59:27 CET 2016
Thank you Justin,
i have changed as per the instruction but still im getting the same error
,here is the topol.top file details,could you please tell me where i gone
wrong ,
; Include forcefield parameters
#include "./charmm36-jun2015.ff/forcefield.itp"
; Include chain topologies
#include "topol_Protein_chain_A.itp"
#ifdef POSRES
#include "posre_Protein_chain_A.itp"
#endif
#include "topol_Protein_chain_A2.itp"
#ifdef POSRES
#include "posre_Protein_chain_A2.itp"
#endif
#include "topol_Protein_chain_A3.itp"
#ifdef POSRES
#include "posre_Protein_chain_A3.itp"
#endif
; additional params for the molecule
#include "lig.prm"
#include "lig.itp"
#ifdef POSRES
#include "posre_lig.itp"
#endif
; Include water topology
#include "./charmm36-jun2015.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 "./charmm36-jun2015.ff/ions.itp"
[ system ]
; Name
Protein in water
[ molecules ]
; Compound #mols
Protein_chain_A 1
Protein_chain_A2 1
Protein_chain_A3 1
LIG 1
SOL 30474
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