VMD-L Mailing List

From: Lubos Vrbka (shnek_at_tiscali.cz)
Date: Mon Apr 19 2004 - 09:16:46 CDT

hi all,

from the header of the xyzplugin.c file i can see that the comment line
(second line in the xyz file) is not supported...
when i try to read single frame xyz file with something written on the
2nd line it loads fine.
when i try to read multiple frame xyz file with all "2nd lines" blank it
also loads fine.
however, with a comment written on the second lines (in fact, i store
pbc information in format " box x_dim y_dim z_dim" there, it crashes
with "ERROR: expecting 220 atoms, found only 221"
why is it crashing? from the source it seems it should be skipped...

and another question - if i'd like to modify the xyzplugin to support my
  "format" of xyz file with box information on the second line - could
you please tell me where to look for the appropriate code how to store
box information for the whole trajectory in the vmd?

regards, 

-- 
Lubos
_@_"