[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...

Thank you..

With Best Regards,

Ph.D Student

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