[gmx-users] merge two .top file
jalemkul at vt.edu
Tue May 27 14:06:11 CEST 2014
On 5/27/14, 7:39 AM, Lovika Moudgil wrote:
> Hi everyone....
> Can anybody tell me that how can I merge two different .top (topology)
> files ????
A .top file is a system topology, so it's hard to merge them. What you can do
is compile the necessary components by making them into .itp files (i.e.
removing system-level directives) and using the #include mechanism to put
everything together, along with a unified [molecules] directive.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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 | (410) 706-7441
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