[gmx-users] NMR restrained MD
Rama Krishna Koppisetti
ramkishna72 at gmail.com
Sun Sep 8 00:55:21 CEST 2013
If you are willing to see my complex pdb file or complex .gro file and
topology files, I'll send you for the reference.
On Sat, Sep 7, 2013 at 5:42 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 9/7/13 6:40 PM, Rama Krishna Koppisetti wrote:
>> Hi Justin,
>> I use similar procedure as you mentioned in the tutorial to generate my
>> topologies for protein and bilayer. there is no .rtp file for lipid. Is
>> there any reference to include lipid molecule in aminoacid.rtp file.
> Read the manual and look at existing examples. The .rtp format is very
> similar to the standard topology (.top/.itp) format, probably even a bit
> more straightforward.
> Justin A. Lemkul, Ph.D.
> Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
> jalemkul at outerbanks.umaryland.**edu <jalemkul at outerbanks.umaryland.edu> | (410)
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