On Mar 24, 2010, at 10:58 PM, Vitaly V. Chaban wrote:
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.
Where is that coming from? This is so wrong!
Just test it. :)
I've you ever tried that on a lipid bilayer?
Who could ever say (whatever force field) a vdW cutoff of 0.9/1.4 nm
is no difference?
--
Dr. Vitaly Chaban
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