--- trunk/OOPSE/libmdtools/Integrator.hpp	2003/07/08 21:10:16	576
+++ trunk/OOPSE/libmdtools/Integrator.hpp	2003/07/09 22:14:06	586
@@ -11,6 +11,7 @@ const int maxIteration = 300;
 
 const double kB = 8.31451e-7;// boltzmann constant amu*Ang^2*fs^-2/K
 const double eConvert = 4.184e-4; // converts kcal/mol -> amu*A^2/fs^2
+const double p_convert = 1.63882576e8; //converts amu*fs^-2*Ang^-1 -> atm
 const int maxIteration = 300;
 const double tol = 1.0e-6;