Re: restart simulation writing in the same .dcd file.

From: saman amiri (saman_amiri00_at_yahoo.com)
Date: Sat Jul 02 2011 - 10:00:29 CDT

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If you are going to analyze trajectories using VMD, it does not matter how many dcd file you have. You can simply load all the dcd files alternatively in VMD.

________________________________
From: Ranyere Deyler <ranyere_at_gmail.com>
To: namd-l_at_ks.uiuc.edu
Sent: Saturday, July 2, 2011 11:55 AM
Subject: namd-l: restart simulation writing in the same .dcd file.

Dear NAMD users, the energy was out for some time, so the simulation i was performing on the cluster stopped. Now i want to restart using the restart files, but i need NAMD to keep writing at the same dcd file, it can't overwrite the old one, because the analysis i'm going to do require only one dcd file, i can't have multiples.
So is there some tag on NAMD to tell it to keep saving the coordinates on the same dcd file? Or if there isn't really a way of doing that, if someone knows how to merge two dcd files.

Thanks everyone!

Ranyere D. Trindade

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