[AMBER] [Amber] gbnsr6 doesn't calculate VDWAALS

From: Rohanizeidanlou, Sahar <srohani3.calstatela.edu>
Date: Sun, 12 Sep 2021 19:57:44 +0000

Dear Amber experts,

I am using gbnsr6 to calculate EGB and the total electrostatic energy. I realized that VDWAALS is not being calculated and it's always Zero. I didn't find anything in AMBER manual about how to activate the model to calculate VDSWAALS. Is there any way to get gbnsr6 to calculate VDWAALS as well?

Thanks for your support in advance.

Best regards,
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Received on Sun Sep 12 2021 - 13:00:02 PDT
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