[gmx-users] changing pdb file residue name
tsjerkw at gmail.com
Mon Jul 6 08:36:35 CEST 2009
Hi Rukmani Sridharan,
It's not a matter of name. Gromacs is unlikely to have a topological
description of the molecule and you have to provide that. See
On Mon, Jul 6, 2009 at 6:06 AM, Rukmani
Sridharan<rukmani.gromacs at gmail.com> wrote:
> I am a bit new to gromacs and am familiarizing myself with the various
> commands. I want to simulate an unusual molecule, with the formula C7H10.
> The downloaded pdb file had the residue mname MON which gromacs does not
> recognize. How should i name the residue?
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before posting!
> 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.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
More information about the gromacs.org_gmx-users