[gmx-users] cyclic peptide: adding constraints

Giacomo Bastianelli gbastian at pasteur.fr
Mon Oct 30 11:39:28 CET 2006

Dear Gromac's users,

since I had several problems trying to setting up a cyclic version
of my protein (tried editing topology and modifing the specbond.dat file),
I was wondering if it could be possible to add a constraint between
the N-term and C-term of my protein in a way to simulate my peptide

Thanks in advance for your help,

Giacomo Bastianelli

More information about the gromacs.org_gmx-users mailing list