RESP ESP charge DDataBase Bis & test
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R.E.DD.B. Bis & test (or 2t) allows users to perform blind tests like in R.E.DD.B., and to learn how a project submission has to be carried out, and more generally how R.E.DD.B. works.
Characteristic examples available in R.E.DD.B.
From a 76 struct. RESP fit (4 orient + 4*6 orient + 4*2 conf*6 orient) Connolly surface & HF/6-31G*  DNA-RNA fragments R.E.DD.B. code: F-60 |
From different RESP fits Mol., conf. & orient. fully defined... Connolly surface & HF/6-31G* Selected examples Selection of R.E.DD.B. codes |
| USERS = | 24 | WHOLE MOLECULES = | 2 | MOLECULE FRAGMENTS = | 4 |
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