[gmx-users] Re:Getting energy values in kcal/mol

[Sairam Tatikonda]

Hi,
I am running MD simulation  for my system using Gromacs , as the output
energies values generated are in the units of kJ/mol , Is there any option
or method while running the simulation which i can use  so that i get
output energies in the units of kcal/mol rather than in kJ/mol.I have gone
through the gromacs manual and mailing list but could not find the solution.
Any help will be highly appreciated.




Rajitha
Ph.D student
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