VMD-L Mailing List

From: Diego Granados (webbynator42_at_gmail.com)
Date: Thu Jun 05 2014 - 11:34:52 CDT

Hi !

I made a small script in order to visualize charmm predicted hbonds through
a trajectory with vmd. The output of the script is a tcl file which makes
a visual representation for each hydrogen bond. When i use it with a single
pdb it works without any trouble but when i try to do the same for a
trajectory it doesn't work. This is an excerpt of the code:

mol load psf
/Volumes/nut/diego/secar_nonamero/archivos/nonamero_proteina.psf

mol addfile
/Volumes/nut/diego/secar_nonamero/trayectorias/step7_all_proteina_str10.dcd
dcd 0

mol modstyle 0 0 NewCartoon

mol modcolor 0 0 ColorID 3

mol selection (segid PROA and resid 46 and type HN) or (segid PROA and
resid 78 and type O)

mol addrep 0

mol modstyle 1 0 VDW

mol modcolor 1 0 ColorID 1

mol selection (segid PROA and resid 72 and type HN) or (segid PROA and
resid 52 and type O)

mol addrep 0

mol modstyle 2 0 VDW

mol modcolor 2 0 ColorID 1

Does anyone have any clue about the trouble?

 If you have any trouble in order to understand my message don't hesitate
in telling me.

Thank's a lot!

Diego.