[gmx-users] gen_seed

[Justin Lemkul]

On 12/1/13 9:45 AM, Mahboobeh Eslami wrote:
> Hi Dear Gmx Users
>
> what is the different between gen_seed= -1 and gen_seed=173529?

 From the manual:

"when gen-seed is set to -1, the seed is calculated from the process ID number."

The other is just a default value that has no particular significance.  Some 
people like to keep record of what the random seed was, hence setting a specific 
value.  With -1, you don't control what the value is, though whatever number was 
used should be written to mdout.mdp.

> what is the best for NVTequilibration?

There is no "best."  Any random number will do.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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