Hi GMX Users,
I am writting this email, beacause I think the g_msd program in Gromacs 4.5.4
bears a problem. I was calculating the MSD od center of mass of POPC in
membrane (system contains 274 POPC lipid molecules in all-atom force field)
from 50 ns trajectory and it seems to consume great amount of memory. With
time of calculations the memory reserves are gradually devoured to the extent,
in my case, of over 600 GB (than my administrator of cluster killed the
process). It seems that it does not release memory and it's pilling results up
with steps in memory. Have you heard of such case?
Best wishes,
Slawomir--
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