[gmx-users] Embedding Protein into lipid bilayer

Justin Lemkul jalemkul at vt.edu
Tue Feb 23 00:02:14 CET 2016

On 2/22/16 4:40 AM, khourshaeishargh at mech.sharif.ir wrote:
> 	Dear Justin
> 	Thanks for your reply. I think, I got what you mean. By the way, My
> protein needs to use BGL residue and of course this type of the residue
> isnt available in the gromacs sources. So I find its information in ATP
> site and it is attached to my Email as a .itp file. I try to attach its

The mailing list does not accept attachments.

> content to .rtp file  and add BGL to residuetype as protein to
> gromos96 53a6, but again when I try to use pdb2gmx command, it fails and
> says Residue BGL not found in residue topology database. also the
> contents of the attached file isnt as same as the .rtp file writing. Any
> Comment ? I really appreciate it.




Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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