From: MEHRAN MB (mb.mehran1_at_gmail.com)
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.
http://www.ks.uiuc.edu/Development/MDTools/catdcd/
Cheers,
Mehran
On Tue, Jul 2, 2013 at 1:45 AM, James Starlight <jmsstarlight_at_gmail.com>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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