Re: [gmx-users] g_rms/rmsf: fit vs. nofit

On 11/2/12 7:11 PM, Peter C. Lai wrote: Hi I have sort of a noob question about when to fit and when not to fit when computing rmsd and rmsf. My use-case is to look at the motion of different domains of a protein where there are atoms near the COM of the starting structure that remain relativ

[gmx-users] g_rms/rmsf: fit vs. nofit

Hi I have sort of a noob question about when to fit and when not to fit when computing rmsd and rmsf. My use-case is to look at the motion of different domains of a protein where there are atoms near the COM of the starting structure that remain relatively stable throughout the simulation accor