Re: AMBER: ipol=1 & use_pme= ??

From: David A. Case <>
Date: Mon, 2 May 2005 09:44:47 -0700

On Sat, Apr 30, 2005, Cenk Andac wrote:
> I was wondering if I should turn off pme (use_pme=0)
> when ipol is set to 1.


> when use_pme=0, do I still need to use a non-bonded
> cut-off distance (cut) for explicit solvent
> simulations?

Yes. The variable "cut" is needed for all simulations. The default is
generally good for PME simulations, but is too short for non-PME simulations.

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Received on Mon May 02 2005 - 17:53:01 PDT
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