Sajad Ahrari wrote:
Dear users,
Is there any way to find out About Van Der Waals interactions between
two group of residues, by Gromacs?
You can decompose various nonbonded energy contributions by using suitable
energygrps in the .mdp file. Beyond that, you'll have to be a lot more specific
about what you wish to measure.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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