Re: Restarting MD (Disabling Checklist)

From: Babban Mia (babbanmia_at_gmail.com)
Date: Fri Aug 19 2011 - 06:50:04 CDT

Can somebody please advise me on this ?.

Thanks!

Best
Babban

On Thu, Aug 18, 2011 at 9:28 PM, Babban Mia <babbanmia_at_gmail.com> wrote:

> While writing a restart config file and using binVelocities
> ${name}.restart.vel
>
> What options need to be disabled ?
>
> Check list :
> temperature 310
> langevinTemp 310
> langevinPistonTemp 310
> reinitvels 310
>
> Is there anything more which needs to be disabled ?
>
> I figured out that even though we load in the coordinates through a <binCoordinates ${name}.restart.coor> restart file. We still need to use the option :
>
> coordinates ${name}.pdb
>
> Why is that ?
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