RE: AMBER: sander failure

From: Ross Walker <ross.rosswalker.co.uk>
Date: Thu, 20 Jan 2005 14:04:32 -0800

Dear Yi,

> molecular dynamics run
> &cntrl
> imin=1,maxcyc=100,
> nptr=10,
> &end
> END

Change nptr to ntpr and try again...

Note: It is often best to test out your job on a single cpu first to ensure
it works before running it in parallel. Error messages are often more vague,
or lost all together when running in parallel.

All the best
Ross

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|\oss Walker

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Received on Thu Jan 20 2005 - 22:53:00 PST
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