[gmx-users] grompp error in running simulation of lipid bilayer

nitu sharma 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

Fatal error:
Syntax error - File lipid.itp, line 9
Last line read:
'1       1'
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.

Nitu Sharma
School Of life sciences
Jawaherlal Nehru University
New Delhi, India
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