[gmx-users] Tcl script

[Kukol, Andreas]

Tcl is not part of Gromacs. Please direct your enquiry to the appropriate mailing list, e.g.

http://www.tcl.tk/community/

Andreas

>>>>
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of varsha gautham
Sent: 20 January 2009 07:05
To: gmx-users at gromacs.org
Subject: [gmx-users] Tcl script

I just now started with TCL scripting.And it will be helpful if  someone tell me how to write a TCL script for the following queries.?

Given a ubiquitin protein ,

1.what is the end-to-end distance ( c-terminal and N-termnal) distance of ubq and how does it change with time?
2. what is the total charge of the protein?