Hi ALL,<div><br></div><div><span id=":1rq">I have carried out REMD simulation on a protein (20 replicas). Now I want to carry 2D PMF calculation
using RMSD and Radius of gyration as the reaction coordinates using Grossfield Lab's WHAM package. For this what should be my input parameters to the WHAM program and in which format?</span></div><div><span id=":1rq">Any suggestion in this regard is welcome.</span></div>
<div><span id=":1rq"><br></span></div><div><span id=":1rq"><br></span></div><div><span id=":1rq">Regards,</span></div><div><span id=":1rq"><br></span></div><div><span id=":1rq"><br></span></div><div><span id=":1rq">Anirban</span></div>