[gmx-users] About coulmb & Vanderrwalls cutoff

Justin Lemkul 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.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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