Fwd: running NAMD with AMBER inputs

From: Rui Chen (rchen6_at_ualberta.ca)
Date: Sun Sep 01 2019 - 13:13:12 CDT

---------- Forwarded message ---------
From: Rui Chen <rchen6_at_ualberta.ca>
Date: Sun, Sep 1, 2019 at 11:29 AM
Subject: running NAMD with AMBER inputs
To: AMBER Mailing List <AMBER_at_ambermd.org>

Hello,

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,
Rui


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