[gmx-users] query regarding .top file

Justin A. Lemkul jalemkul at vt.edu
Sat Jul 18 13:54:51 CEST 2009

subarna thakur wrote:
> Hello
> I have generated .top file for an ligand with the mktop programm for 
> OPLSAA force field , how do I include this .top file for the ligand 
> along with that my protein in the gromacs run?

You don't #include .top files, you #include .itp files.  See the manual (Chapter 
5) for relevant differences.


> Subarna
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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