[gmx-users] Problem in .gro file

faride badalkhani farideh.khamseh at gmail.com
Mon Jun 29 14:00:18 CEST 2015


Dear all,

I am trying to simulate a hyperbranced polymer (a dendrimer) with gromacs.
Therefore, I have parametrized the GROMOS 53A6 FF, and executed pdb2gmx,
and got a command as follows:
"You have successfully generated a topology from : G3-Neutral.pdb
The Pamam force field and the spce water model are used."

But, when I open the G3-Neutral_processed.gro with VMD, it is in a strange
shape, and hasnt got the correct form af a dendrimer. It seems that it
annot realize the correct connections between residues in a branched
polymar such as dendrimer.

Your answers will be really helpful.
Thanks alot,
Farideh


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