Dear Amber users,
We've noticed that the use of -O option in sander doesn't overwrite mdout
file properly. The old mdout file is not deleted at the beggining of the
new calculation. The information is written on the file while being
produced but leaving the old information untouched.
For instance, if the old mdout file contains 400 steps of minimization,
the first 100 steps of the new calculation will overwrite the file up to
100 steps but leaving the rest of the file (200 to 400) of the old mdout
file and so on...
Has anybody noticed this before?
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Joffre Heredia Rodrigo Tel: (34)-93-5813812
Laboratory of Computational Medicine Fax: (34)-93-5812344
Biostatistic Dept.
UAB School of Medicine. Bellaterra Joffre.Heredia_at_uab.es
08193-Barcelona (SPAIN)
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Received on Thu Dec 05 2002 - 12:25:33 PST
