[gmx-users] Re: Simulations backward in time
chaban at univer.kharkov.ua
Thu Aug 21 10:31:47 CEST 2008
> I wanted to perform some simulations backward and forward in time (for
> transition path sampling ). If I specify a negative value for 'dt' in the
> mdp file, would that work for backward integration of the equations of
> motion ?
Time does not run back. :) It's a bad idea.
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq., 4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
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