[gmx-users] pdb file

dina dusti dinadusti at yahoo.com
Mon Mar 12 19:42:01 CET 2012

Thank you very much from your response.

Best Regards

 From: Justin A. Lemkul <jalemkul at vt.edu>
To: dina dusti <dinadusti at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Monday, March 12, 2012 10:02 PM
Subject: Re: [gmx-users] pdb file

dina dusti wrote:
> Dear Gromacs Specialists,
> I need pdb file of tiofen, but I didn't find it!!!
> Can I change pdb file of one compound that is as same as tiofen (for example pyrrole) and give it to PRODRG for obtain gro file and topology file of tiofen?

There are numerous methods for producing coordinate files.  See, for instance:



-- ========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080

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