[gmx-users] double and single precision
Edvin.Erdtman at hb.se
Mon Feb 20 09:05:42 CET 2012
I have been running GMX in double precision and by mistake an extension
of a run in single precision was written to the same files.
When I run for example gmxcheck or g_energy I get the following error
after the program has scanned through the double part:
Energy header magic number mismatch, this is not a GROMACS edr file
If you want to use the correct frames before the corrupted frame and
avoid this fatal error set the env.var. GMX_ENX_NO_FATAL
For more information and tips for troubleshooting, please check the
website at http://www.gromacs.org/Documentation/Errors
Can I do something to divide the file into a double and a single part?
Dr. Edvin Erdtman
501 90 BORÅS
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