[gmx-users] checking gen_seed

Kwee Hong jestan1985 at yahoo.com
Tue Mar 22 08:59:58 CET 2011

Alright, thx Mark.

From: Mark Abraham <Mark.Abraham at anu.edu.au>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Tuesday, March 22, 2011 15:44:51
Subject: Re: [gmx-users] checking gen_seed

On 22/03/2011 6:28 PM, Kwee Hong wrote: 
Hi all,
>I've accidentally deleted my mdp and .tpr  file.. :(
>Is there a way I could check the gen_seed of my simulation           from the 
>.tpr or the output of my simulation as I need the           info to simulate the 
>same system at another temerature?
I don't think gen_seed is saved in the .tpr, but you can see with     gmxdump.

At a different temperature it generates different velocities anyway,     so I 
don't think there is value in controlling this variable.

More importantly, if you're simulating long enough to approach     convergence, 
the value of gen_seed doesn't matter because the     simulation has converged. 
If you're not simulating that long, then     it also doesn't matter, in that 
your results won't be worth much     even if you used the same gen_seed at the 
same temperature...


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