From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Wed Apr 13 2011 - 09:46:07 CDT
Dear NAMD developers,
I have two feature request which are related, perhaps even mutually
exclusive:
- 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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