[gmx-users] truncating LJ potentials

Irem Altan irem.altan at duke.edu
Mon Jul 11 19:41:40 CEST 2016


Hi,

I’m trying to figure out how to truncate the LJ potentials at the repulsive part. I found a similar question and answer in the mail list from 2011: http://comments.gmane.org/gmane.science.biology.gromacs.user/37093 

Is the answer still the same? Has a newer/easier way of this been implemented since 2011?

Best,
Irem


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