[gmx-users] Position restraint for 2ns

Rabab Toubar rtoubar at yahoo.com
Wed Jun 2 19:03:40 CEST 2010


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

Rabab Toubar

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