[gmx-users] pdb file

Justin A. Lemkul jalemkul at vt.edu
Mon Mar 12 19:32:49 CET 2012

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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