[gmx-users] merge two .top file

Justin Lemkul 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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