[gmx-users] .top file for POPC membrane

Justin A. Lemkul jalemkul at vt.edu
Mon Apr 23 13:16:00 CEST 2012

On 4/23/12 7:12 AM, Shima Arasteh wrote:
> I made it as the format of .top and .itp files, but still get the same error.

If you have a topology (either .top or .itp), there is no need to run pdb2gmx.


> --------------------------------------------------------------------------------
> *From:* Shima Arasteh <shima_arasteh2001 at yahoo.com>
> *To:* Discussion list for GROMACS users <gmx-users at gromacs.org>
> *Sent:* Monday, April 23, 2012 3:05 PM
> *Subject:* [gmx-users] .top file for POPC membrane
> Dear all gmx users,
> I performed the pdb2gmx to get the .top file, but I faced this error: " Residue
> 'POP' not found in residue topology database ". So I decided to make a top file.
> How can I make the .top file for popc.itp?
> Anybody can guide me please?
> Thanks in advance,
> Shima
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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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