VMD-L Mailing List

From: Philipp Schoen1 (SCH_at_zurich.ibm.com)
Date: Mon Apr 16 2007 - 07:39:44 CDT

Dear Users
I want to grid my computational domain. What files do I need to do so?
Currently I am loadng the trajectory dcd plus the velocity dcd. From the
first one I want to get the atoms belonging to a certain box. From the last
one I want to calculate the temperature. Is it possible by using these
files? How can I load the velocity values for certain atoms belonging to a
predefined sub-domain?
Thanks in advance
Philipp