RE: AMBER: sander failure

From: Ross Walker <>
Date: Thu, 20 Jan 2005 14:04:32 -0800

Dear Yi,

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

|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- |
| | PGP Key available on request |

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