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.
Last edited by Manori; 04/21/17 11:31 AM.