[gmx-users] how to build topology
jalemkul at vt.edu
Wed Oct 15 23:29:09 CEST 2014
On 10/15/14 5:11 PM, Victor Rosas Garcia wrote:
> but... the lipids I am interested in are not included in the files
> provided by the authors. I want to make a new lipid that is compatible
> with said forcefield.
I see no advantage in trying to use acpype or any other tool, just to change the
entirety of the content. You can probably re-use most of the existing
topologies (the authors provide examples), if you really want a template from
which to work.
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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