AMBER Archive (2007)

Subject: RE: AMBER: Minimization and MD input files

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Sep 25 2007 - 15:45:11 CDT

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

as in

$AMBERHOME/exe/sander -O -i min_kelly.in -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,
Ross

/\
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|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
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