[gmx-users] Incorrect number of parameters - found 2, expected 5 or 5 for LJC-14 q
Biswajit Gorai
biswajit.ju at gmail.com
Tue Mar 20 11:30:29 CET 2012
Dear GROMACS users,
I am beginner to GROMACS. I want to simulate my protein in different
concentrations of Guanidinium Chloride solution and collected the files (3M
& 5M box and .itp file) from
http://www.gromacs.org/Downloads/User_contributions/Molecule_topologies.
Then I build a topology file 'topol.top' (to minimize the box further) as
; Include forcefield parameters
#include "gromos43a1.ff/forcefield.itp"
#include "gnd.itp"
; Include water topology
#include "gromos43a1.ff/spc.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 "gromos43a1.ff/ions.itp"
[ system ]
; Name
Gdm 3M
[ molecules ]
; Compound #mols
GND 19
SOL 269
CL- 19
Then I execute the command
$ grompp -f minim.mdp -c gnd3M.gro -p topol.top -o em.tpr
But I got the following error
Program grompp, VERSION 4.5.5
Source code file: toppush.c, line: 1631
Fatal error:
Incorrect number of parameters - found 2, expected 5 or 5 for LJC-14 q.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
Is there something wrong with the .itp file (given) or I am doing any
mistake?
Thanking you.
Greetings
Biswajit
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