[gmx-developers] One more correction for Amber FF

Igor Leontyev ileontyev at ucdavis.edu
Fri Apr 15 23:06:09 CEST 2011


Current vdW parameters of Amber TIP3P water (OW atom) are slightly different 
from those in Sorin's Amber port: "3.15076e-01  6.35968e-01". Later are in 
excellent agreement with the original amber TIP3P parameters:
R*=1.7683 A and Eps= 0.1520 Kcal/mol.

Igor Leontyev 





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