[gmx-users] positive potential energy

[David van der Spoel]

Den 2020-03-15 kl. 20:53, skrev Afsane Farhadi:
> hi all I generated a box 4×4×4 (nm) with 100 molecules methyldiethanolamine by insert-molecules , forcefield is opls . after energy minimization the potential energy decreased  but had a positive value . is my simulation wrong ? help me please
> 
> Sent from Yahoo Mail on Android
> 
No. I just answered a similar question.

-- 
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
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