[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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