RESP ESP charge Derive
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R.E.D. allows computational biologists involved in AMBER/GAFF, CHARMM, GLYCAM & OPLS force field based biological studies to automatically derive highly effective and reproducible charge values, and to build force field libraries for new molecules and molecular fragments.
Done using Molekel...
R.E.D. version 3.2
Project initiated: March 2004,
. R.E.D.-III tools release: April 2007
. R.E.D.-III.1 tools release: January 2009
. R.E.D.-III.2 tools release: April 2009
Mac OS X compatible
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Last update of the R.E.D. Home Page: May 1st, 2009. |
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times since April, 13th, 2007.