On 02/04/17 14:20, Saumyak Mukherjee wrote:
Dear Users,
I want to calculate the configurational entropy of certain water molecules
in a protein water system. Can you kindly inform me how to do it?
Basically it is not meaningful since first most water molecules are
rigid in simulation, meaning t
Dear Users,
I want to calculate the configurational entropy of certain water molecules
in a protein water system. Can you kindly inform me how to do it?
>From different forums I have seen that it can be down by using g_covar and
g_anaeig programs. But I don't clearly understand the use. From this
