VMD-L Mailing List

From: Nicolas Sapay (n.sapay_at_ibcp.fr)
Date: Thu Feb 23 2006 - 15:05:09 CST

Hello everybody,
I'm using some TCL scripts to analyze a big trajectory. I call TCL procs
in a VMD script. The TCL functions use bigdcd procedure to load and
analyze the DCD file. So, my VMD script contains something like this:

trace variable vmd_trajectory_read w zdistance_done
big_zdistance -dcd $dcdfile -seltext1 "lipid" -seltext2 "protein" -step
10 -out $outfile

And in the big_zdistance proc, there is:
bigdcd get_zdist $dcdfile

Fianlly, there is an "exit" command in the zdistance_done proc

This works perfectly when I run my script locally. But when I run VMD
through a Job server (PBSpro), 1 or 2 frames are loaded, and then VMD
exits. Has someone ever met this kind of problem?

Thanks

Nicolas

[ Dr Nicolas Sapay ]
Institut de Biologie et Chimie des Protéines
CNRS - Claude Bernard University, IFR128 Bioscience Lyon-Gerland
Phone: +33 (0)4 72 72 26 46 - Fax: +33 (0)4 72 72 26 46
Address: 7 passage du Vercors, 69367-F Lyon cedex 07, France