[gmx-users] Continuation 1) after crash and 2) in general
k.a.feenstra at chem.rug.nl
Wed Dec 12 15:05:07 CET 2001
"Dr. Y. U. Sasidhar" wrote:
> Does it imply that, if we start a fresh simulation keeping all parameters same
> and using positions and velocities of last frame of 1 ns run,
> we will not get the same trajectory that would result from a continous run ?
But also if you run twice with binaries compiled with different
compiler versions, or on different hardware, or with different
c libraries, you will not get identical results.
Also, if you truncate the full precision positions and velocities
(which are about 7 decimal places) to 6 decimal places, which is
a completely negligible perturbation, you will get a different result.
This is to say, you shouldn't worry too much about this, its just
one of the properties of a multi-body system.
| | Anton Feenstra Dept. of Biophysical Chemistry |
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