Re: Restarting NAMD simulation

From: Sourav Ray (souravray90_at_gmail.com)
Date: Thu Mar 12 2015 - 09:16:26 CDT

Thanks a lot for your help.

On Thu, Mar 12, 2015 at 7:43 PM, Norman Geist <
norman.geist_at_uni-greifswald.de> wrote:

> This "firsttimestep" parameter just controls the numbering of the
> timesteps,
> nothing more. It will not affect the simulation in any way. So it's just to
> have a continuing numbering across simulation stages.
>
>
>
> As you will restart from the latest written restart at 20000000 you can of
> course set "firsttimestep" to this value.
>
>
>
> Norman Geist.
>
>
>
> From: Sourav Ray [mailto:souravray90_at_gmail.com]
> Sent: Thursday, March 12, 2015 3:09 PM
> To: Norman Geist
> Subject: Re: namd-l: Restarting NAMD simulation
>
>
>
> I ran a 20ns simulation with a time-step of 1fs and minimization for first
> 1000 steps.
>
>
> ----------------------------------------------------------------------------
>
> ----------------------------------------------------------------------------
> -------------------------
> timestep 1.0 ;# 1fs/step
>

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