RESP ESP charge DDataBase
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R.E.DD.B. is a database of RESP and ESP charges of high quality and reproducibility, and force field libraries for small molecules and molecular fragments: A database for computational biologists involved in AMBER, CHARMM, GLYCAM & OPLS force field based biological studies.
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New DB for DNA & RNA
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 |
20 examples...
From different RESP fits Mol., conf. & orient. fully defined... Connolly surface & HF/6-31G* Selected examples R.E.DD.B. code selection |
