----- Original Message -----
From: Dmitri Dubov <[email protected]>
Date: Thursday, August 26, 2010 18:17
Subject: Re[2]: [gmx-users] initial velocities analysis
To: Discussion list for GROMACS users <[email protected]>
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> Hi, Justin.
> I'm also interested in this question. Could you make clear:
> > Anna Marabotti wrote:
...
>> - is there a way to check for the velocities or for the random seed
>> used? I had a look at the .log file but I didn't find the information.
>> g_traj generated a very big file, and presently I have some problems to
>> analyze it. How can I see initial velocities?
>>
...
> In other words, when gen_seed is set to -1, there is a rigorous rule for seed
> calculation. How can I get the value of this seed? I need it to repeat
> exactly the same run, e.g., with more detailed outputs.
See manual 7.3.17, and inspect your mdrun .log file for the value grompp
actually used. However, note
http://www.gromacs.org/Documentation/Terminology/Reproducibility
Mark
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