VMD-L Mailing List

From: Jose Borreguero (borreguero_at_gmail.com)
Date: Wed Oct 24 2012 - 14:13:37 CDT

Dear VMD users,

I want to extract and save one particular frame from a DCD trajectory, and
pass it to NAMD as the .coor file (binary coordinate restart file). I don't
know what is the format of the .coor file so I don't know which format
should I choose when extracting and saving the frame with VMD.

The frames of my dcd trajectory also contain the unit cell dimension info.
Will this info be preserved when I extract the frame? I want to use this
instead of having to generate an .xsc file by looking in the .xst file.

Finally, What is the TCL command like? Is it something like 'write coor
init.coor beg $frame end $frame'? Sorry for this silly question but I'm a
newbie.

Any help is immensely appreciated!
Jose M. Borreguero