[gmx-users] no add extra atoms at N and C terms

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Nov 9 09:08:18 CET 2006

Hi Giacomo,

Run pdb2gmx with the -ter flag and select 'none' for both termini.



On 11/9/06, Giacomo Bastianelli <gbastian at pasteur.fr> wrote:
> Dear Users,
> I would like to avoid gromacs adding the extra
> atoms (such as hydrogens and hydroxyls) to
> my N-term and C-terms.
> Is there any way to do that?
> my best,
> Giacomo Bastianelli
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Tsjerk A. Wassenaar, Ph.D.
NMR, Utrecht University,
Padualaan 8,
3584 CH Utrecht, the Netherlands
P: +31-30-2539931
F: +31-30-2537623

More information about the gromacs.org_gmx-users mailing list