[gmx-users] g_anaeig, entropy
zzeppelin87 at gmail.com
Wed Jan 8 17:26:50 CET 2014
Dear Gromacs users,
There is a problem with entropy calculations with g_anaeig.
I try to calculate entropy using this:
g_anaeig -v eigenvec.trr -entropy
But result (entropy value) is not the same if I just give the name of file
or give the whole pass to the file.
The result is also different If I run this command from different work
I use gromacs-4.5.6.
I already asked this question before but it seems that nobody knew how to
deal with it. Or maybe I miss something in previous discussions?
Should I consider this effect as a gromacs bag?
Thank you for any help
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