VMD-L Mailing List

From: Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Wed Jul 27 2005 - 10:22:41 CDT

You might find this web-based program useful for your calculations:

http://www.scsb.utmb.edu/cgi-bin/get_a_form.tcl

The only problem you will find is that you can only analyze single snapshots taken from your simulation.

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of Andrea Carotti
Sent: Wednesday, July 27, 2005 7:59 AM
To: vmd
Subject: vmd-l: SAS values for a residue

Hi all,
I need to have the value of the SASA of a single residue in a protein
trajectory file stored in an ascii file.
Is it possible to make with vmd?
Someone could suggest me the simplest and fastest way to solve my problem?
Thanks a lot in advance
Andrea

------------
Andrea Carotti
Dip. Farmaco-chimico (Università di Bari)
via E. Orabona, 4 ## CAP 70124 ## BARI (Italy)
web: http://www.farmchim.uniba.it/samba/modeling.htm
phone: (+39) 080 5442551 ## fax: (+39) 080 5442230