Re: [gmx-users] CMAP format on GROMACS

On 1/8/20 10:25 AM, Marcelo Depólo wrote: Thanks for your input, Justin. Helpful as always. I am assuming the array is formatted to vary phi as a function of psi i.e. (-180,-180), (-180,-165), (-180,-150) [considering (phi,psi)] and again but for phi = -165. I am also assuming that, since

Re: [gmx-users] CMAP format on GROMACS

Thanks for your input, Justin. Helpful as always. I am assuming the array is formatted to vary phi as a function of psi i.e. (-180,-180), (-180,-165), (-180,-150) [considering (phi,psi)] and again but for phi = -165. I am also assuming that, since it is a 24x24 matrix, values will start in