AMBER Archive (2008)

Subject: RE: AMBER: Changes in the Amber web site

From: Majeed Shaik (m.shaik_at_manchester.ac.uk)
Date: Mon Sep 08 2008 - 10:07:21 CDT

Dear Prof. Case,

Thanks for your email...there is another simple question I wanted to ask

What does GMAX in the output file stand for?

   NSTEP ENERGY RMS GMAX NAME NUMBER
   1000 -8.6627E+03 3.5003E-01 9.1049E+00 N1 18

 BOND = 640.1775 ANGLE = 59.2026 DIHED =
44.6496
 VDWAALS = 1674.2708 EEL = -11363.9565 HBOND =
0.0000
 1-4 VDW = 41.1645 1-4 EEL = 241.7586 RESTRAINT =
0.0000

Thank you

Majeed

-----Original Message-----
From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
David A. Case
Sent: 08 September 2008 14:26
To: amber_at_scripps.edu
Subject: AMBER: Changes in the Amber web site

Some of you may have noticed some changes in the Amber web site. It is
no longer being hosted at The Scripps Research Institute. The entry
point is now http://ambermd.org. Please update your bookmarks.

For now, the mailing list address continues to be amber _at_ scripps.edu.
We
are planning a change to a new mailing list, and will let you know when
that happens.

If you notice problems with the web site, please send reports either
here or to amber-admin _at_ casegroup.rutgers.edu.

...thanks...dave case

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