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.rosswalker.co.uk |
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Received on Tue May 31 2005 - 18:53:01 PDT
