[AMBER] Issue with defining angle parameters in frcmod files

From: Sam Walsworth (Researcher) <"Sam>
Date: Wed, 22 Dec 2021 19:21:46 +0000


I have a molecule that has four angles made up of the same three atom types in a row (ag-cc-na) whereby each of the four angles has its own unique angle parameter (in kcal/rad^2). I'm assuming that if I defined one of the angles in the frcmod file, it'd automatically apply that parameter and angle value to all four ag-cc-na angles since they're made of the same atom types.

Is there a way I can specify which atom name and/or atom number I want the angle parameters applied to such that I can parameterise the different angles appropriately?

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Received on Wed Dec 22 2021 - 11:30:02 PST
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