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.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
David A. Case
Sent: 08 September 2008 14:26
To: amber.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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Received on Wed Sep 10 2008 - 06:07:24 PDT
