VMD-L Mailing List

From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Wed Apr 20 2011 - 07:06:04 CDT

Dear VMD experts,

While running my simulations with NAMD (mostly with rectangular periodic
boundary conditions), I write out .dcd trajectories that contain the unit
cell information. I usually do not save an .xst file. However, in principle,
I can write out a file in the format of the corresponding .xst file.

If (say accidentally) I lose the .xsc file, is there a tool/plugin which
will allow me to generate the .xsc file again, if I am able to provide the
periodic cell parameters?

Thanks in advance,
Neelanjana Sengupta