From: Joshua D. Moore (jdmoore_at_unity.ncsu.edu)
Date: Wed Nov 30 2005 - 21:43:13 CST
I think you might be having a similar problem to this post:
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/2617.html
If you ran your simulations with NAMD, why not use catdcd to merge your
DCD files? It is included with each NAMD distribution I believe.
Josh
On Wed, November 30, 2005 5:19 pm, michael jerry wrote:
> hi, I tried to merge the multiple trajectories from NAMD using CHARMM
> force
> field. Because NAMD did not use the restart file, the step number in each
> NAMD trajectory file starts from 0 to 2000000 (2ns), instead of consective
> number in CHARMM, the first trajectory is 0-2000000, the second is
> 2000001-4000000, the third is 4000001-6000000.
>
> So, now I tried to analyze my results. I don't want to analyze each
> trajectory. But, I could not combine these three trajectory using MERGE
> command. The CHARMM always give me the first trajectory.
>
-- Joshua D. Moore Graduate Student North Carolina State University Department of Chemical and Biomolecular Engineering Box 7905 Centennial Campus Engineering Building I 911 Partners Way Raleigh, NC 27695-7905 Phone: (919) 513-2051 Fax: (919) 513-2470 Email: jdmoore_at_unity.ncsu.edu --------------------------------------------------
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