AMBER Archive (2007)

Subject: RE: AMBER: RST can not be opened

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Fri Mar 30 2007 - 09:42:45 CST

> [root_at_Bic11 exe]# sander -O -i min.in -o try4.min.out -c newdelphe.x
> -p delprmtop -r try4.min.x
>
> Unit 33 Error on OPEN: RST
>
> as far as i know there is no problem with my RST.bb file and it is in
> the same directory where i am currently working.
> I a attaching my min.in file

Your input file says DISANG=RST

But your restraint file is called RST.bb?

No wonder it doesn't work...

/\
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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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