[gmx-users] minima

g_anaeig command give some minimum or maximum value are these value energy minima and maxima for extreme 2 frame structures? eigenvector Minimum Maximum value time value time 1 -9.162661 99.0 2.682097 9450.0 2

Re: [gmx-users] minima

Hi Pawan, These are the maximum and minimum projections on the eigenvectors. They are very unlikely to correspond to energy minima, as minima will be modal. Think of a pendulum, projecting the position on the floor. The extreme projections actually correspond to states of higher (potential)