[gmx-users] Re: cutoff problem

Vitaly V. Chaban vvchaban at gmail.com
Wed Mar 24 22:58:46 CET 2010

> Hi,
> I want to test different values of cutoff for vdw. However, in the list someone said cutoff = 0.9 for vdw was used for paramaterizing of >Gromos force field, other values would cause error, and also there was someone saying that cutoff for vdw should be set to 1.4. Can >someone make this question clear? Thanks a lot.

The common rule for all FFs is to set the LJ-cutoff around
2.5*sigma(LJ12-6). In fact, you'll get about 0.9 nm for the most
objects. I see nothing terrible if you use, say, 1.4 nm just because
the difference will be negligible.  Just test it. :)

Dr. Vitaly Chaban

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