Re: [AMBER] max pairlist cutoff must be less than unit cell max sphere radius!

From: David A Case <david.case.rutgers.edu>
Date: Thu, 28 Jan 2021 10:07:32 -0500

On Wed, Jan 27, 2021, Pinky Mazumder wrote:

>I have built a cellulose crystalline ...

>ERROR: max pairlist cutoff must be less than unit cell max sphere radius!*

What are your unit cell dimensions? Amber won't work for unit cells less
than (about) 22 in any dimension. You may need to simulate more than one
unit cell at a time.

...dac


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Received on Thu Jan 28 2021 - 07:30:03 PST
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