Re: Locally Enhanced Sampling

From: Melina (mel.ufrgs_at_gmail.com)
Date: Wed Mar 27 2013 - 13:23:06 CDT

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Dear NAMD users:

I'm using Locally Enhaced Sampling (NAMD 2.9) to replicate a part of the
protein (a loop) . However, the backbone dihedral of the loop are getting
distorted. There is a possibility of not divide the dihedral, bond and
angle potential for all copies?

Best,
Melina

2013/3/18 Melina <mel.ufrgs_at_gmail.com>

> Hello everyone,
>
> I wonder if all potentials of the VdW and electrostatic terms are divided
> by the number of copies, using *Locally Enhanced Sampling* of NAMD. If
> yes, then it's possible to disable for the intramolecular terms?
>
> Best,
> Melina
>

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