AMBER: Setting nonbonded cutoff to 1

From: Hayden Eastwood <>
Date: Mon, 16 Jul 2007 18:27:45 +0100

Dear AMBER users

I would like to run an MD simulation in which I invoke a non-bonded cut off
of 1. However, when I try a very low value (such as 1), I get an error
message saying, " unreasonably small cut for non-periodic run". Is there any
way I can stop it from crashing out? Ie what in the AMBER code must I modify
to prevent the simulation halting on the basis of "unreasonable" parameters
such as this?

Many thanks in Advance

Hayden Eastwood

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Received on Wed Jul 18 2007 - 06:07:29 PDT
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