[gmx-users] problem in average energy

bharat v. adkar bharat at sscu.iisc.ernet.in
Fri Feb 3 21:50:03 CET 2006

hi all,
there is a problem in calculating average energy in v3.2.1

i am writing energy after every 10 steps to edr file. when i use g_energy 
to extract some energy values, it displays average statistics of the asked 
energies. here i observed that average energy is ~10 fold less than frame 

only average is problematic... rest is fine...


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