[gmx-users] (no subject)

[AMNINDER SINGH]

Dear
People,
 
I am  trying to calculate enthalpy of vaporization
of methanol. 
Using energy
–nmol on equilibrated methanol, E pot comes -5.005 KJ/mol.
Then for EPot
(gas) I got 14.405 KJ/mol. 
 
Using DHvap
= Epot(gas) - Epot (liquid)+RT.
 
My value
comes around 11 KJ/mol much less than experimental value 37.43.
 
Any idea
where is mistake might be. 
 
Thanks.
Amninder
Virk