Hi,
I am trying to reproduce some steps from a paper, the authors set position
restraint to the protein (all-bonds) with a force constant of 1000 for 2ns.
I edited the pr.md file where nsteps would result in 2 ns, and I searched the
mailing list and knew that the force cons is 1000 by default if we define
-DPOSRES
My question is the run ended very quickly that doesn't seem 2ns for me. I
apologize if it is a silly question but I have just strated using GMX
Thanks
Rabab Toubar
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