[gmx-users] analysis of different groups with g_energy
Peyman.Yamin at cbi.uni-erlangen.de
Mon Jun 9 16:06:13 CEST 2008
Dear Gromacs users,
I'm simulating dilute solutions of different surfactants in different media.
All I want to analyse afterwards, though, is the single surfactant molecule
Is there any way to extract energy data from the original .edr file with
respect to a single group, in the same way as one can extract structures from
an .xdr with trjconvm?
Is there any way to use g_energy to different groups? as I see I can only have
some of the properties in a group-specified way - like T! I'm not asked in
which group i'm interested and neither I can specify it at command-line, that
I want, say total-energy of group G!
Thanks in advance,
Lehrstuhl fuer Thermische Verfahrenstechnik
Phone: +49(0) - 9131 - 85 27671
Mailto: peyman.yamin at cbi.uni-erlangen.de
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