[gmx-users] query regarding .top file

[Justin A. Lemkul]

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.

-Justin

> Subarna
> 
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-- 
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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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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