[gmx-users] A problem with lipids.hdb file
jalemkul at vt.edu
Mon May 4 04:00:06 CEST 2015
On 5/3/15 9:15 PM, 叶纯 wrote:
> I am Ye Chun.I am a postgraduate in the university of science and technology of china. I’m writing a letter to you to ask for some help.
> I want to run a simulation with a lipid as ligand.I have some problems in order to automatically add hydrogen to lipids with charmm27 force field. Indeed, I found that the lipids.hdb file is empty. So I want to ask you for help.
> I will be much appreciated if you can help me! Thanks for your time!
Either write correct .hdb entries in the lipids.hdb file or prep your system
another way, e.g. CHARMM-GUI.
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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