[gmx-users] Re: change in secondary structure

[bharat gupta]

Sorry to ask this question but setting the gen_vel=yes and gen_seed = -1
will eventually lead to different simulation and thus different simulated
structures ?? .. and after completing one set of simulation with this
paramter and 3ns time .. do i have to repeat it some 3 or more times ??....
pls comment.. as  I am going to start simulation with these parameters.

On Wed, Feb 2, 2011 at 5:27 AM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> bharat gupta wrote:
>
>> Thanks for such a detailed reply to my queries .. But conducting a 50ns
>> simulation will take time ... so i want to conduct independent simulation
>> and for that I searched some threads but was not able to get the proper
>> description and method... if u can guide me through an appropriate link ..
>> it would be much more helpful ..
>>
>
> Each simulation begins with the assignment of random velocities (gen_vel =
> yes).  Specify different values of gen_seed (or leave it set to -1) to get
> different velocities each time.
>
> -Justin
>
>
> --
> ========================================
>
> Justin A. Lemkul
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> ICTAS Doctoral Scholar
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> Department of Biochemistry
> Virginia Tech
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> jalemkul[at]vt.edu | (540) 231-9080
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-- 
Bharat
Ph.D. Candidate
Room No. : 7202A, 2nd Floor
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