VMD-L Mailing List
From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Wed Apr 20 2011 - 07:06:04 CDT
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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
- Next message: Phelan Jr., Frederick R. Dr.: "Generating Topo Bond Data from LAMMPS Data File"
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- Reply: John Stone: "Re: generating .xsc files using periodic information"
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