[gmx-users] Lennard-Jones potential not matching with published data
ibrahim.khalil.chem at gmail.com
Wed Jul 23 20:40:16 CEST 2014
Dear gromacs users, i know this is not a good question to post here but i
am trying to reproduce some published data where the Lennard-Jones
potential is plotted with respect to time.
In my simulation, my results are about half (not exactly half but around
half) of the published data. I am stuck here for like a month and cannot
find my mistakes.
Can anyone help me where to look for my mistake? I am using a modified
Should i check my forcefield parameters? Or my mdp parameters?
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