[gmx-users] energy debugging
Anton Feenstra
feenstra at chem.vu.nl
Mon Jan 27 12:40:46 CET 2003
David wrote:
>
> I don't think energy-group information was ever written to the log file,
> except for averages at the very end.
Right - but I don't get *any* energy values in the logfile, only
step, time and lambda...
> LOG_BUFS should work though. Do also run mdrun -v, that gives you
> explicit flushing of (some) files.
Already did that.
--
Groetjes,
Anton
________ ___________________________________________________________
| | Anton Feenstra |
| . | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
| |---- | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands |
| |---- | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| ' __ | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
| / \ |-----------------------------------------------------------|
| ( ) | Dept. of Biophysical Chemistry - University of Groningen |
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| __ | Tel +31 50 363 4327 - Fax +31 50 363 4800 |
| / \ | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton |
| ( ) |-----------------------------------------------------------|
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