the R.E.D. tools, the PyRED program, the R.E.DD.B. database, R.E.D. Server and R.E.D. Server Development Université de Picardie - Jules Verne, Amiens Université de Picardie - Jules Verne, Amiens Université de Picardie - Jules Verne, Amiens Université de Picardie - Jules Verne, Amiens Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA Université de Picardie - Jules Verne, Amiens |
Mol., conf. & orient. fully defined... Connolly surface & HF/6-31G* Selected examples from R.E.DD.B. Done using JSmol and JavaScript. |
Four tutorials are available. The first one presents different charge derivation approaches using the R.E.D. III.x tools. The second one is about the R.E.DD.B. database. The third one demonstrates the use and interface of the Ante_R.E.D. 2.0 and R.E.D. IV programs by R.E.D. Server. The last one describes the execution of the PyRED program at R.E.D. Server Development, and presents the latest force field developments carried at q4md-forcefieldtools.org. This fourth tutorial does replace the first and third ones, which are outdated nowadays.
| Tutorial -I- | RESP charge derivation using the Ante_R.E.D.-1.x & R.E.D. III.x programs |
| Tutorial -II- | Description of the RESP ESP charge DDataBase |
| Tutorial -III- | R.E.D. Server: Examples & demonstrations - Execution of the Ante_R.E.D. 2.0 and R.E.D. IV programs  |
| Tutorial -IV- | R.E.D. Server Development - Performing calculations with the PyRED program: Application to charge derivation, force field library building and force field parameter generation  |
| Tutorial -V- | Force field development using FFParmDev |
