On 3/05/2011 7:13 PM, Geethu Issac wrote:
Hello Users,
I am a final year project student.I am doing simulation of gangliosdie
gm1 using gromacs 4.5.4. I am encountering an error in the energy
minimisation step(grompp -f ions.mdp -c gm1_solv.gro -p gm12.top -o
ions.tpr) saying
*
-------------------------------------------------------
Program grompp, VERSION 4.5.4
Source code file: topio.c, line: 653
Fatal error:
Syntax error - File ffgmxnb.itp, line 1
Last line read:
'[ atomtypes ]'
Invalid order for directive atomtypes
For more information and tips for troubleshooting, please check the
GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
*
The pdb file i have downloaded from 3DSDSCAR. I tried several times
with the same but am encountering the same error.Can anyone please
give me some guidelines or solution for the same.
Did you follow that link and see what it has to say about this
frequently-occurring problem?
Mark
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