[gmx-users] Continuation 1) after crash and 2) in general

[K.A.Feenstra]

"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.

-- 
Groetjes,

Anton
 _____________ _____________________________________________________
|             | Anton Feenstra       Dept. of Biophysical Chemistry |
|  _   _  ___,| K.A.Feenstra at chem.rug.nl    University of Groningen |
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