--- trunk/mdtools/md_code/Thermo.cpp	2002/07/09 18:40:59	11
+++ trunk/mdtools/md_code/Thermo.cpp	2002/07/09 21:46:32	25
@@ -83,7 +83,7 @@ double Thermo::getTemperature(){
 
 double Thermo::getTemperature(){
 
-  const double kb = 1.88E-3; // boltzman's constant in kcal/(mol K)
+  const double kb = 1.9872179E-3; // boltzman's constant in kcal/(mol K)
   double temperature;
   
   int ndf = 3 * entry_plug->n_atoms + 3 * entry_plug->n_oriented