RE: AMBER: Minimization and MD input files

From: Ross Walker <>
Date: Tue, 25 Sep 2007 13:45:11 -0700

> This is the code I typed in for minization:
> $AMBERHOME/exe/sander -o -i -o min_kelly.out -p
Needs to be a capital O --

as in

$AMBERHOME/exe/sander -O -i -o min_kelly.out -p ...

> Mr. Walker: I do not understand what you mean by this.
> "How exactly are you running the minimizations -
> interactively or through a
> queuing system?"

>From what you say above you are running it interactively - via your
terminal. Not submitting it to a remote queuing system.

Good luck,

|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
| | PGP Key available on request |

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Received on Wed Sep 26 2007 - 06:07:25 PDT
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