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

From: Maria Musgaard (
Date: Sat Jul 02 2011 - 03:03:26 CDT

Hi Ranyere,


You can use catdcd to merge the dcd files after simulation – check out






Fra: [] På vegne af
Ranyere Deyler
Sendt: 2. juli 2011 09:26
Emne: 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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