VMD-L Mailing List

From: ziemys_at_ecr6.ohio-state.edu
Date: Tue Jun 20 2006 - 15:33:32 CDT

HI,

Is RMSF in VMD computed as in GROMACS (the root mean square standard deviation of atomic positions after first fitting to a reference frame) ?

What frame is the reference for fitting (if RMSF calculated like in GROMACS) ?

Will the average computed RMSF of all atoms in a residue be the same as a group RMSF ?

With best
Arturas