[AMBER] Regarding multipl cutoffs

From: Sudhanshu Shanker <sudhanshu.bioinfo.gmail.com>
Date: Mon, 31 Oct 2016 14:13:32 +0900

Dear AMBER users,

I am working on a large system containing multiple solute and solvent
molecules to study the interaction of solute molecules (with each other) in
different solvent environments. I am wondering if it is possible to use
multiple/different cutoffs for solvent-solvent and solute-solute and
solvent-solute groups. Kindly reply if it is possible as it can be used to
increase the speed of the simulation in my case.

Thanks in advance.

Kind regards
Sudhanshu

-- 
*Sudhanshu Shanker, PhD      *
*Department of Chemistry, Graduate School of Science, Kyoto University,
Kyoto - *
*606-85 02JAPAN    *
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Oct 30 2016 - 22:30:02 PDT
Custom Search