[gmx-users] About coulmb & Vanderrwalls cutoff
jalemkul at vt.edu
Wed Jun 5 18:53:13 CEST 2013
On 6/4/13 10:13 PM, vidhya sankar wrote:
> Dear Justin thank you for your previous reply
> How can i check using th value 1.4 is harmless to My system
> Through g_energy ouput (potential.xvg) can i check (graphically)
This is a topic that is a bit too hard to deal with via email, and goes well
beyond the scope of the list. If you're not sure, don't deviate from the
original force field requirements.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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