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

[Mark Abraham]

On 12/21/2011 5:44 PM, Sairam Tatikonda wrote:
> 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.

No. You will need to convert these yourself if you need it.

Mark

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