[gmx-users] merge two .top file
lovikamoudgil at gmail.com
Wed May 28 06:01:46 CEST 2014
On Tue, May 27, 2014 at 5:26 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 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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