AMBER Archive (2005)

Subject: RE: AMBER: sander failure

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Jan 20 2005 - 16:04:32 CST

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

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
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