Ante_R.E.D.-1.x & R.E.D. III.x programs, the R.E.DD.B. database and R.E.D. Server Université de Picardie - Jules Verne, Amiens Université de Picardie - Jules Verne, Amiens Burnham Institute for Medical Research, 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. |
Three tutorials have been written. The first one presents different RESP charge derivation approaches using the Ante_R.E.D.-1.x and R.E.D. III.x programs. The second one describes the R.E.DD.B. database. The third one provides demonstrations of the use of R.E.D. Server. It is advised to first read "Tutorial -I-", and then "Tutorial -II-" and/or "Tutorial -III-". Indeed, data generated during the first tutorial are used in the second and third ones.
| 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 |
| Tutorial -IV- | Force field development |
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