AMBER Archive (2005)

Subject: RE: AMBER:Sander errors: Unit 6 Error on OPEN: mdout

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue May 31 2005 - 12:45:53 CDT

Dear Latifa,

 
> the following command as recommended in the manual's user and the
> tutorial
> Sander -I mdin -0 mdout -p prmtop -c inpcrd -r restrt -e mden
> I received the following message: Unit 6 Error on OPEN: mdout.

The command line options to sander are case sensitive. -o means output file
while -O means overwrite output files. Note, if the first option is not -O
sander will NOT overwrite any existing files. This is the error you are
seeing. mdout already exists so sander will not overwrite it. You command
line should be:

sander -O -i mdin -o mdout -p prmtop -c inpcrd -r restrt -e mden

Note, these are all default names so:

sander -O

Would achieve the same result.

All the best
Ross

/\
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|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross_at_rosswalker.co.uk |
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