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Re: [ESPResSo-users] Error: failed to tune P3M paremeters to required ac
From: |
Stefan Kesselheim |
Subject: |
Re: [ESPResSo-users] Error: failed to tune P3M paremeters to required accuracy |
Date: |
Mon, 24 Feb 2014 15:47:14 +0100 |
Dear Roya,
please answer to the Espresso Mailing list, so that the others also see our
conversation.
On Feb 24, 2014, at 3:44 PM, roya moghaddasi <address@hidden> wrote:
> Hi dear Stefan,
> Thank you for your answer, in my system there is a box of length 150, and
> there is a cylinder in the middle of the box with radius 25 and length of box
> length, the number of particles is 7400: 36 polymer of length 100 (100
> monomers), 3600 counterion, 200 salt ions. Is the box small for this number
> of particles or not and does it cause the problem?
> best,
> Roya
To me this does not look problematic. Very small systems are usually more a
source of accuracy problems. But please try with a lower accuracy. On how many
CPUs are you running the system? What's the Bjerrum length?
Cheers
Stefan