Re: Polymer Layer/ Cutoff

From: Kenno Vanommeslaeghe (
Date: Thu May 15 2014 - 11:58:43 CDT

The nonbonded cutoff is an integral part of the force field and changing
it will affect properties. The right solution is to increase the
dimensions of your simulation system to be larger than the cutoff by a big
enough MARGIN (hint, hint; please consult the relevant documentation). And
yes, this means there's a minimum linear dimension of bulk phase systems
that can be simulated using a given FF. And even it that wouldn't be the
case, 7.3A too small anyway; you'll get PBC artifacts.

Out of curiosity, why are you trying to simulate a square pancake?

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