[gmx-users] initial velocities analysis

Dmitri Dubov ddubov at ngs.ru
Thu Aug 26 09:52:13 CEST 2010

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.
 Dmitri                          mailto:ddubov at ngs.ru
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