[gmx-users] temperature using stochastic dynamics

Sidney Elmer sidnasty at stanford.edu
Thu Nov 14 22:21:45 CET 2002


When I run stochastic dynamics (integrator=sd) at 300K (ref_t=300.0) the
actual simulation temperature fluctuates around an average value ~255.0K
(rmsd ~60K).  Did I miss a conversion factor for temperature, or
something?  I don't understand what's going on.  Thanks a bunch.


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