From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Thu Aug 17 2017 - 13:25:02 CDT
The .vel file contains the atom velocities at the end of your simulation. The .vel.restart files provide intermediate results at the interval specified by restartfreq. Please refer to the user guide for more information.
-- David J. Hardy, Ph.D. Theoretical and Computational Biophysics Beckman Institute, University of Illinois dhardy_at_ks.uiuc.edu http://www.ks.uiuc.edu/~dhardy/ > On Aug 10, 2017, at 4:39 AM, t.shivam_at_iitg.ernet.in wrote: > > Dear namd users, > I want to know that what is the basic difference between.vel and > .vel.restart file, why can't we use .vel file itself in order to restart > the simulations, and in which case we will use the either one. > > regards > shivam
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