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

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 6 Mar 2015 14:22:16 -0500

On Fri, Mar 6, 2015 at 2:11 PM, Jordan Graziadei <jgraziad.hamilton.edu>
wrote:

> Hello again,
>
> I was wondering if anyone had any insight into the problem I'm having. I'm
> trying to troubleshoot but am not making much progress.


‚ÄčI'm a bit puzzled about why you're getting that error as well. I wonder
if there is some sort of catastrophic box collapse that is happening,
although I don't know what could or would cause that.

Is this with sander? pmemd? pmemd.cuda? Does the same thing happen with
any of the *other* programs? Have you tried printing every step close to
when that error occurs?

All the best,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Mar 06 2015 - 11:30:03 PST
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