VMD-L Mailing List

From: Lars Bruno Hansen (lhansen_at_fysik.dtu.dk)
Date: Thu Mar 27 2003 - 09:26:57 CST

Dear All

I was looking for a way to specify the unitcell information in python,
analog to the way this is done in Tcl:
molinfo top set a 40.0
molinfo top set b 30.0
molinfo top set c 30.0
Is this possible using the python commands defined now?

I have a second question on the interface library for doing IMD
mentioned in 'A system for Interactive Molecular Dynamics Simulations',
is this c-library available?
My goal was to use this library for building an IMD interface from our
simulations tools to VMD.

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