From: himanshu chandola (beu99419_at_ccsun50.iitd.ac.in)
Date: Fri Apr 09 2004 - 02:36:55 CDT
thanks all for the necessary info.
himanshu
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"Blessed are the geek
for they will inherit the shell
-- Fritz, 5:5"
On Thu, 8 Apr 2004, Ioana Cozmuta wrote:
> Hi Himanshu,
>
> You need to modify your namd configuration file and tell NAMD to restart
> the run by using the output from your previous run.
>
> Modify the following:
>
> coordinates ./file.restrt.coor
> velocities ./file.restrt.vel
> extendedSystem ./file.restrt.xsc
>
>
> You do not need to have the files in the same directory, you may replace
> the ./ with the whole path to those files.
>
> Also make sure you change the name of your output files (if you restart
> your run in the same directory) to a different one, otherwise Namd will
> overwrite them.
>
> Good luck,
> Ioana
>
>
>
>
>
>
>
> Hi all,
>
> i've asked this question already but didn't get any responses.
> How do u make namd start your simulation from the restart files. Does
> having the restart files in the same directory and starting namd normally
> make it start the simulation from the restart files ? thanks in advance.
> himanshu
>
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