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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