[gmx-users] About pdb2gmx and cyclic peptides
igladich at sissa.it
Thu Jun 26 12:21:32 CEST 2014
I am trying to build a cyclic peptide of 12 aminoacids using pdb2gmx.
Searching on the web I found that is not very straightforward without
editing the topology and the .gro file
The problem is that I have thousand of structures and so I need to do it
I am wondering if in the newer versions of gromacs the problem has been
addressed and solved.
Thanks for any possible advice
Ivan Gladich, Ph.D.
International School for Advanced Studies (SISSA)
Via Bonomea 265, I-34136, Trieste,
e-mail: igladich at sissa.it
web page: http://people.sissa.it/~igladich/
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