Re: Restarting simulation

Date: Fri Jul 05 2013 - 15:52:04 CDT

Hi James,
I do not know any option in NAMD conf file for your purpose and I have no
idea why you want to do this. However, if you really insist to have one big
DCD file you can use CatDCD to combine two DCD files.


On Tue, Jul 2, 2013 at 1:45 AM, James Starlight <>wrote:

> Dear NAMD users!
> Typically I define below parameters in the conf file if I want that my
> simulation would start from last step in md.dcd simulation.
> structure ionized.psf
> coordinates ionized.pdb
> outputName md
> bincoordinates md.restart.coor
> binvelocities md.restart.vel
> extendedSystem md.restart.xsc
> This produce new trajectory (dcd file). What option should I add to the
> conf file if I'd like that my trajectory continue write to the existing
> md.dcd (without creation of the second dcd file)?
> Thanks for help,
> James

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