VMD-L Mailing List

From: Jonathan Ashar (jashar_at_umd.edu)
Date: Tue Jul 25 2006 - 12:31:00 CDT

hello VMD,

i am writing a molecular dynamics code as part of some undergraduate research. i'd love to be able to use VMD to visualize my results. as such, i'm trying to figure out the format of trajectory files. i'm willing to use the .dcd or .crd format, or any other format (AMBER, LAMMPS, etc.) - whatever is easiest to code.

i have found this http://www.lrz-muenchen.de/~heller/ego/manual/node93.html description of the .dcd/.crd format, but i dont think i could construct a complete .dcd file from it (perhaps b/c i have no background in fortran). for example, i'm not sure what "i=1" means, or how to differentiate between different timesteps.

are there any more explicit, thorough descriptions of this or any format?
and as always, an example could be worth a hundred explanations :-P

many thanks,
jonathan ashar