[AMBER] running NAMD with AMBER inputs

From: Rui Chen <rchen6.ualberta.ca>
Date: Sun, 1 Sep 2019 11:29:28 -0600


I am running MD simulation with AMBER inputs, please find attached my
configuration file. Since in AMBER force field, the switching function is
turning off, the result will be less accurate. I found a template from NAMD
user's guide and another example, both of them have a cutoff value 9.0. If
I increase the cutoff to a large number (say, 999), will I increase the
accuracy of the simulation?

Looking forward to your feedback. Thank you.

Best regards,

AMBER mailing list

Received on Sun Sep 01 2019 - 11:00:01 PDT
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