[AMBER] Gaff v2.1 Force Field for n4

From: chaumont <chaumont.unistra.fr>
Date: Tue, 8 Oct 2019 14:29:45 +0200

Dear Amber Users,
I want to use the GAFF v2.1 Force Field for my simulation and I see that non-bonded parameters for n4 atom types in gaff2.dat are
1.4028 for R and 3.8748 for epsilon. The value of epsilon seems extremely large to me so I was wondering if this value was correct or if it was a typo ?

Thanks a lot in advance for the answers.

Best regards,

Alain Chaumont

Laboratoire de Modélisation et Simulations Moléculaires
4, rue B. Pascal
67000 Strasbourg

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Received on Tue Oct 08 2019 - 06:00:03 PDT
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