[gmx-users] Tcl script

Kukol, Andreas a.kukol at herts.ac.uk
Tue Jan 20 09:42:26 CET 2009

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



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?

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