[gmx-users] Mentioning LJ Cutoff in mdp file

Tushar Ranjan Moharana tusharranjanmoharana at gmail.com
Tue Mar 13 11:10:34 CET 2018

Hi Everyone,
I want to use LJ interaction cutoff at 12 Å and treat LJ smoothly between
10 and 12 Å. Does the following in .mdp file reflect the same?

rvdw-switch          = 0.2
rvdw                 = 1

Kindly Reply.
Thanks a lot.
Tushar Ranjan Moharana
B. Tech, NIT Warangal
Ph D Student, CCMB

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