What about use for commercial purposes? On Thu, Apr 9, 2009 at 1:31 AM, FyD <[email protected]> wrote:
> Dear All, > > I am pleased to announce the release of R.E.D. Server available @ > http://q4md-forcefieldtools.org/REDS/. > > R.E.D. Server provides the software and hardware (i. e. a cluster of > computers) required for the derivation of highly effective and reproducible > RESP and ESP atomic charge values embedded in force field libraries suitable > for molecular dynamics simulations. R.E.D. Server interfaces the last stable > version of the RESP ESP charge Derive program (R.E.D. IV April 2009 so far) > developed by the q4md force field tools team, and provides the binaries for > the last versions of the Gaussian, GAMESS-US, or the PC-GAMESS/Firefly > program, and for the RESP program. More generally, the last developments in > term of RESP and ESP charge derivation carried out by the q4md force field > tools team will be provided through R.E.D. Server. The release of these new > developments will be carried out from time to time, and the description of > those last features released in R.E.D. Server is available at the "R.E.D. > Server news" web page. > > By involving multiple molecules, multiple conformations and multiple > orientations in charge derivation and by handling specific charge > constraints during the fitting step, R.E.D. IV allows building complex force > field topology database or FFTopDB corresponding to the simultaneous > generation of numerous molecular fragments (N-terminal, C-terminal and > central amino acid fragments, 5'- or Y'-terminal, 3'- or X'-terminal and > central nucleotide fragments as well as monosaccharide and metal complex > fragments) in a single execution. The all atom or united-carbon force field > library model can be in-differentially generated. A procedure to study the > impact of the various charge constraints required during the fitting step of > a molecular fragment has been implemented allowing users to compare charge > values, and thus to validate or reject charge sets. > > The use of R.E.D. Server and R.E.D. IV is described in Frequently Asked > Questions http://q4md-forcefieldtools.org/REDS/faq.php as well as in a > specific tutorial http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php. > > Academic users involved in non-profit research are authorized to use R.E.D. > Server. The use of R.E.D. Server is provided at no cost after signing a > license agreement. The PI (principal investigator or Director of a > laboratory) and the PU (R.E.D. Server principal user) have to register and > sign a license agreement to be authorized to use R.E.D. Server. > > A general public help is provided with the q4md-forcefieldtools mailing > list. Any researcher can participate in this mailing list by answering > and/or sending queries at [email protected] after > registration at [email protected]. Archives of the q4md-fft > mailing list are public. A private assistance is also available for > registered users from the "Assistance" Service available at the R.E.D. > Server Home page. We are registered in the AMBER and CCL mailing lists, and > we will answer to the queries about the q4md force field tools in these > mailing lists as well. > > The R.E.D. III.2 tools distributed in a standalone version at > http://q4md-forcefieldtools.org/RED/, the RESP ESP charge DDataBase (or > R.E.DD.B. http://q4md-forcefieldtools.org/REDDB/) which allows freely > storing and distributing RESP and ESP charges embedded in force field > libraries in the scientific community and R.E.D. Server constitute to the > best of our knowledge unique tools. > > regards, > > F.-Y. Dupradeau > --- > http://q4md-forcefieldtools.org/FyD/ > > > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use thewww interface > or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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