The data are averages of two independent 40 ns simulation with the corresponding standard deviations. All values are in kcal/mol. The polar term is the sum of Coulomb interaction energy (Eelec) and po
The data are averages of two independent 40 ns simulation with the corresponding standard deviations. All values are in kcal/mol. The polar term is the sum of Coulomb interaction energy (Eelec) and po