Hi all,
During my MD runs, I got the situation that "vlimit exceeded for step ******; vmax = 20.4201". Once this appeared, the run was stopped. It happened normally after the simulation started about a few ns or a dozen ns later.
I may use smaller step length to circumvent it. But to better assess the reason causing this "vlimit exceeding", I hope to extract the velocity from the restart file to see which atoms from which residues are with the higher velocity. Does anyone know how to do extract the velocity from the restart file and assign the velocity to each atom? Is there any commands regarding this? In general, is there any suggestion to solve the "vlimit" problem?
Thank you,
gw
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Received on Tue Apr 29 2014 - 14:30:02 PDT
