[gmx-users] compressing the system

[Moeed]

Dear Dr.Vitaly Chaban

I ran the simulation with PME for a short time ,36ps and noticed
electrostatic energy is converging to a 1200 which is close to what I got
with shift function. total enerfy is around 14000 which is very far from
what you got. Kinetic energy per se is around 7000 while you obtained a
total energy of 2000 Kj/mol. I am curious why results are not the same. Are
you sure you did the simulation with 8 molecules and not with a single
chain?

Sorry to have bothered you..
Moeed
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