[gmx-users] how to build topology
Victor Rosas Garcia
rosas.victor at gmail.com
Thu Oct 16 01:09:46 CEST 2014
OK, I'll try that.
thanks for your input
2014-10-15 16:28 GMT-05:00 Justin Lemkul <jalemkul at vt.edu>:
> 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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