[gmx-users] Basic question.
muta.mestri at gmail.com
Wed Oct 25 20:49:51 CEST 2006
I was trying to look at the data obtained from energy terms in few
simulations using gromacs.
After the initial 50/100ps equilibriation, the potential and total energy
terms for the entire simulation is almost a constant. Is it so for all the
simulations (if there is no much change in the positions of the molecules
involved in the simulation)?
I mean, wont there be any difference in potential energy depending on the
motion of the atomic positions of the molecules involved in the simulation,
or is the change in energy very small compared to the actual energy. It
might look as a very easy question for you guys, but I never looked into
Thanks in advance,
Old Dominion University,
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