[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
Dina



________________________________
 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:

http://www.gromacs.org/Documentation/File_Formats/Coordinate_File#Sources

-Justin

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

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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