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

[Pawan Kumar]

Hi,

Greetings from Pawan.
Edit your lipid.itp file.
Comment or remove the lines :
           [default]
           1       1

Then grompp will work..

Regards,
Pawan

2009/3/30 nitu sharma <sharmanitu35 at gmail.com>

> 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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