NAMD feture request

From: Ajasja Ljubetič (
Date: Wed Apr 13 2011 - 09:46:07 CDT

Dear NAMD developers,

I have two feature request which are related, perhaps even mutually

   - Would it be possible to add binary output for colvars trajectories?
   I would like to write several colvars at high frequency and the text
   files are getting into Gigabytes.

   - Would it be possible to implement writing only part of the system into
   the binary dcd trajectory.
   I have a medium membrane system, but I'm interested only in a small
   specific part. It would be ideal if NAMD could read a file of atom indices
   and write only those atoms to the dcd. (And I know I can run my simulation
   in parts and then load the trajectory in VMD and save only the interesting
   part and delete the oiginal dcd - this is what I'm doing now.)

Best regards,
Ajasja Ljubeti,
Young reasercher,
Laboratory of biophysics,
Institute Joef tefan,
Ljubljana, Slovenia

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