Re: [gmx-users] discrepancy between ED motions and the MD motion

Hi Vijayan R., Eigenvectors are specific up to a sign. So it's not said the start will end up as the negative extreme. It seems your interpolation just shows what happens in reverse. As a sidenote, do check whether it is a biologically relevant motion, or merely relaxation. Cheers, Tsjerk On

Re: [gmx-users] discrepancy between ED motions and the MD motion

Thanks Tsjerk Can you plz tell me How do we really conclude that an biologically relevant motion or a simple relaxation ( i have followed this approach, i also carried out a elastic netwok modelling based PCA and comapred the lowest mode obtained from EN-NMA with my PC1- Is this a right