[gmx-users] About pdb2gmx and cyclic peptides

Ivan Gladich igladich at sissa.it
Thu Jun 26 12:21:32 CEST 2014

Dear all,
    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.
Research Assistant
International School for Advanced Studies (SISSA)
Via Bonomea 265, I-34136, Trieste,

Room: 331
Tel: +390403787335
e-mail: igladich at sissa.it
web page: http://people.sissa.it/~igladich/

More information about the gromacs.org_gmx-users mailing list