TINKER 4.1 and Force Field Explorer 1.1 are Available

 Dear Computational Chemistry List,
 A new release of the TINKER Molecular Modeling Package, version 4.1,
 is available from the Ponder Lab web site at http://dasher.wustl.edu/
 or via anonymous ftp from dasher.wustl.edu in the /pub/tinker area.
 TINKER 4.1 is a modular, general package for molecular mechanics and
 dynamics with some special features, facilities and parameter sets for
 biopolymers. It currently supports several force fields, including
 Amber (ff94, ff96, ff98 and ff99), CHARMM (19 and 27), Allinger MM
 (MM2-1991 and MM3-2000), OPLS (OPLS-UA, OPLS-AA and OPLS-AA/L) and
 our own AMOEBA polarizable atomic multipole force field. The software
 contains many advanced algorithms for energy minimization, molecular
 dynamics, distance geometry and global search, including some methods
 that are not readily available elsewhere. Changes from TINKER 4.0
 include some new force field parameter sets, improvements to rigid
 body dynamics, a Nose-Hoover thermostat, and numerous minor additions
 and bug fixes.
 In addition, release of TINKER version 4.1 coincides with a new
 version 1.1 of the Force Field Explorer visualization program and
 GUI for the TINKER package. This new version of FFE contains major
 improvements over the initial 1.0 release: (1) the communication
 between TINKER and FFE is now via Java sockets, leading to much
 greater stability, (2) tighter integration with the TINKER programs,
 (3) improved video performance and speed, (4) many added features
 and improvements to the easy-of-use of the interface.
 TINKER and Force Field Explorer are distributed with full source
 code, a User's Guide, and several examples and test molecule files.
 Directions are supplied for building the package on most commonly
 used CPU/OS combinations. Prebuilt executables limited to a maximum
 of 10000 atoms are also provided for Linux, Windows and Mac OS X.
 The Linux and Windows executables are fully GUI-capable.
 Please see the web site above for further information. We ask those
 who make significant use of TINKER to complete, sign, and return by
 regular mail the license form available on our web site. We keep all
 the returned forms and use them to help justify further development
 of the package.
 Comments, questions and suggestions for improvements should be sent
 to ponder[at]dasher.wustl.edu. We are particularly eager to get feedback
 
 from people who are considering using TINKER and Force Field Explorer
 
 in an instructional setting.
                         Best wishes, Jay Ponder
 --
 Jay W. Ponder                          Phone:  (314) 362-4195
 Biochemistry, Box 8231                 Fax:    (314) 362-7183
 Washington University Medical School
 660 South Euclid Avenue                Email:  ponder[at]dasher.wustl.edu
 St. Louis, Missouri 63110  USA         WWW:    http://dasher.wustl.edu/