CHARMM Development Project Forums User Discussion & Questions Other User Discussion and Questions WHAM Free Energy at a Higher Tempertature

Hi All,

I have perturbation data for 10 lambda values at 400 K and I am going to use WHAM iteration method in charmm to get the free energy. I do not see any option to specify the temperature in the WHAM module in charmm. SO, I am wondering how to specify the temperature for WHAM calculations. I am greatly appreciating any comment on my post. I am waiting for a reply to continue my simulations.

Thanks in advance for any help.

Manori