RE: NAMD with infinite cutoffs?

From: Vermaas, Joshua (
Date: Mon Jun 03 2019 - 17:01:53 CDT

Hi Norman,

Why not just make your cutoffs unimaginably large and run without periodic boundary conditions? Is there some part of your system that to be replicated to infinity.


On 2019-06-03 14:51:22-06:00 wrote:

Hey Brian, thanks for your suggestion, however the fulldirect thing wont work for me since I have implicit solvent conditions.

Best wishes
Norman Geist

Am Montag, den 03-06-2019 um 20:21 schrieb Brian Radak:
Look for the "FullDirect" keyword in the user guide and note all of the caveats.

On Mon, Jun 3, 2019 at 12:32 PM Geist, Norman <<>> wrote:
Hey there,

is there a possibility to have infinite cutoffs in NAMD. More specifically, is there a way to consider all interactions without running into problems with cutoffs to close to the box size?

Norman Geist

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