Re: MD simulations increasing electrostatic potential of a certain residue

From: Ajasja Ljubeti� (ajasja.ljubetic_at_gmail.com)
Date: Wed Nov 17 2010 - 02:32:28 CST

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Your best bet is probably to create a new topology for that residue. There
you can increase the partial charges.

Regards,
Ajasja

2010/11/16 Wendy González <locuswendy_at_gmail.com>

> Dear NAMD users:
>
> I want to simulate the case where the electrostatic potential of a certain
> residue is increased. Is it possible to run a MD increasing only the
> electrostatic potential of a certain residue?
>
> Thanks for any help,
>
> Wendy
>

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