[gmx-users] grompp error in running simulation of lipid bilayer
sharmanitu35 at gmail.com
Mon Mar 30 08:01:29 CEST 2009
Dear all ,
I am trying to do simulation of DMPC lipid bilayer
for this I have made topology file with the help of teleman website by
downloading two file -lipid.itp &dmpc.itp . But when I run the grompp for
energy minimisation I am getting error like this -
Program grompp, VERSION 4.0.3
Source code file: topio.c, line: 430
Syntax error - File lipid.itp, line 9
Last line read:
Found a second defaults directive.
my command line like this- [nitu at localhost dmpc1tap]$ grompp -f em.mdp -p
dmpc.top -c dmpc-solvated.pdb -o dmpc-em.tpr
If anyone know about this please help me in solving this problem .
its very useful for me.
thank you very much in advance.
School Of life sciences
Jawaherlal Nehru University
New Delhi, India
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users