Re: Turning off Electrostatics Completely

From: Daniel Aguayo (
Date: Mon Mar 07 2011 - 11:53:55 CST

Hello Tim.
You can use the reloadcharges command to turn off the charges.

Daniel Aguayo

On Feb 24, 2011, at 7:05 PM, wrote:

> Hello,
> I am wondering if anyone can tell me if there is a way to completely turn
> off electrostatics during a simulation in NAMD. From what I've read in
> the UG, it seems that electrostatics can only be implemented in a
> truncated fashion with cutoff and fully with PME. Yet I haven't found a
> way to completely turn off electrostatics without affecting VDW or any
> other energies. I suppose I can go back and recreate the topology for my
> system by eliminating charges, but I was hoping that there would be an
> easy way to turn off electrostatics without having to do that. Any help
> is appreciated!
> Best,
> Tim G

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