VMD-L Mailing List

From: Lars Bruno Hansen (lhansen_at_fysik.dtu.dk)
Date: Tue Mar 11 2003 - 10:16:38 CST

dear all,

I have a question regarding the bond connectivity for different
frames of a molecule.
I load in coordinates and bonds like, using the python interpreter

molecule.load('psf',psffile,'pdb',pdbfile)

and for the subsequent frames I use

molecule.read(0,'pdb',tmppdbfile)
molecule.read(0,'psf',tmppsffile)

The coordinates are loaded fine, however it seems like the bonds
for all frames are allways equal to the last psf file loaded.
I have tried the 'beg' and 'end' options to the read command
however this does not seems to have any effects on this.
I have also tried different order of the two read statements.

I use the front panel animate function to cycle though the
frames.

Would this works different if I loaded the frames using eg. the
dcd format.

I use VMD 18a29 on linux.

Any help on this is greatly appreciated,

with best regards
Lars 

-- 
Lars Bruno Hansen,
CAMP, Dept. of Physics, Building 307, DTU, DK-2800 Lyngby, Denmark
Phone: +45 45 25 32 16  Fax: +45 45 93 23 99
E-mail: lhansen_at_fysik.dtu.dk