look at this email in the archives, it has a lot of useful info about
the minimization output:
http://archive.ambermd.org/200710/0069.html
On Mon, Sep 8, 2008 at 11:07 AM, Majeed Shaik <m.shaik.manchester.ac.uk> wrote:
> 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
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
> to majordomo.scripps.edu
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
> to majordomo.scripps.edu
>
--
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
CMM Bldg, Room G80
Stony Brook University E-mail: carlos.simmerling.gmail.com
Stony Brook, NY 11794-5115 Web: http://comp.chem.sunysb.edu
===================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Wed Sep 10 2008 - 06:07:25 PDT
