[gmx-users] Turning off nonbonded interactions in protein-DNA

Kartheek kartheek.p at research.iiit.ac.in
Wed Oct 21 20:51:21 CEST 2015


Dear all,
I am now trying to do a simulation of protein-DNA complex by turning off all nonbonded interactions between protein and DNA, as suggested in the mailing list an "exclusions" section has been included in topology file. How do I know when I generate input file for mdrun whether these nonbonded interactions are turned off or not.

-- 
Sincerely,
P.Kartheek,
Research Scholar,
CCNSB,IIIT-Hyderabad.



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