[gmx-users] g_enemat problems... again and again
Ghermes at belozersky.msu.ru
Mon Jan 6 11:00:22 CET 2003
Hello dear gmx-ers!
unfortunately, my appeal concerning troubles with g_enemat has bean
lost in new year holidays, so i sincerely hope that now you could help
me! What's happend:
>> Could anybody send me a sample of energy file(s) which is known to be
>> processed correctly by g_enemat? And if possibly a set of necessary
>> structure (and probably short .trj) and .mdp files to check what is wrong in my
>> 'My' g_enemat can't find energy groups that are actually present in
>> .edr file (checked manually after gmxdump), returns segmentation
>> fault and quits without explanations... might it at least wish a Happy
>> New Year?!
David> what command line do you use for g_enemat?
g_enemat -f ener.edr -groups groups.dat
note also that g_energy works well
Moscow State University
greetings to all orthodox with nascent christmas!
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