

RESP ESP charge Derive
Home Page
R.E.D. allows computational biologists involved in AMBER/GAFF, CHARMM, GLYCAM & OPLS force field based biological studies to automatically derive RESP and ESP charge values, and to build force field libraries for new molecules and molecular fragments.
Done using Molekel...
R.E.D. version 3.3
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
. R.E.D.-III.3 tools release: October 2009
UNIX, Mac OS X & Windows compatible
|
Last update of the R.E.D. Home Page: January 25th, 2010. |
|