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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========================================
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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