using restart files

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Thu Apr 08 2004 - 14:59:26 CDT

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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