[gmx-users] Regarding calculation of Lennard-Jones potential
Dilip H N
cy16f01.dilip at nitk.edu.in
Mon Sep 18 05:42:14 CEST 2017
I have a simulation mixture of aminoacid (eg., glycine) with water and
cosolvent. I want to calculate Lennard-Jones Parameters of the all atom
types. How can i calculate it...??
Can it be done with commands, or any other method..??
Any suggestions are appreciated...
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