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martimunicoy / peleffy

The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.

Home Page:https://martimunicoy.github.io/peleffy

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Torsions terms -1

danielSoler93 opened this issue · comments

commented

In the different torsions terms, the last element of the column which controls the sign of the sin/cos term is always -1 while in OPLS2005 variates between +-1. I haven't looked at the complete trigonometric function to check whether is ok or not but let's have a look when we have a moment!