[gmx-users] g_enemat error

Ghermes Chilov Ghermes at belozersky.msu.ru
Sat Feb 8 08:32:03 CET 2003

Hi, Hugo,

Not long ago I've faced the same problem with g_enemat. In fact I was
not lucky enough to solve it completely, but I've mentioned that changing
options in .mdp could have an impact on g_enemat performance: rlist,
nstlist, pbc and so on. At the end .edr file had all the components I
suspected but g_enemat could not see them. In this situation gmx-users
haven't gave me an advise, but I suspect that (if there is no bug in
the program) only one specific combination of parameters in .mdp works
while the others - don't. So if you read the manual very carefully,
probably, you'll be lucky to launch g_enemat.

Anyway, I'll highly appriciate your experience in this respect: if you
manage with g_enemat, will you tell me the secret?! Now I'm busy with
other problems but soon I suspect to return to Gromacs, so if I unlock
this paradigm I'll inform you!


Ghermes Chilov

PhD student
Moscow State University

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