[gmx-users] virtual sites

Neha Gandhi n.gandhiau at gmail.com
Tue Oct 29 07:21:59 CET 2013

Dear Users,

I have a system consisting of peptides and a linear carbohydrate.
Initially I tried to simulate these peptides using virtual sites and
it worked. I can use pdb2gmx for building virtual sites on protein
whereas I have an itp file for the carbohydrate. Is it possible to
apply virtual site to a carbohydrate along with the peptides?

Dr. Neha S. Gandhi,
Curtin Research Fellow,
School of Biomedical Sciences,
Curtin University,
Perth GPO U1987
Research Gate

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