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. Thanks in advance, -- *Geethu Issac* * *
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