[gmx-users] Topology include file " " not found
gozde ergin
gozdeeergin at gmail.com
Tue Apr 26 11:57:13 CEST 2016
Dear all,
I am trying to simulate organic system.
Here is my tool.top file, and cis-pionic,its is in the same folder with the tool.top.
;
; Topology from .mol2 file
; topolbuild
;
; The force field files to be included
#include "charmm27.ff/forcefield.itp"
; Include chain topologies
#include “cis-pinonic.itp"
; 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 ]
; title from mol2 input
LIG
[ molecules ]
; molecule name nr.
cis-pinonic 64
When I try to minimize the system this is the error that I’m getting,
grompp -f minim.mdp -c lig.gro -p topol.top -o em.tpr
Fatal error:
Topology include file " " not found
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
What is that mean?
I thought maybe there is an invisible line so I did also dos2unix however the error is still there.
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