Sciweavers

JCC
2002
80views more  JCC 2002»
13 years 11 months ago
Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations
: A protocol is described for the treatment of molecular polarization in force field calculations. The resulting model is consistent in that both inter- and intramolecular polariza...
Pengyu Ren, Jay W. Ponder