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) energy.
Hope it helps, Tsjerk On Aug 26, 2010 6:57 PM, "pawan raghav" <pwnr...@gmail.com> wrote: 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 -2.728093 4695.0 3.272116 558.0 3 -3.948283 90.0 3.079716 1194.0 4 -1.944027 1137.0 2.509744 2466.0 5 -1.739774 1077.0 2.560917 6.0 6 -2.003240 531.0 2.337445 45.0 7 -1.538053 870.0 1.749108 42.0 8 -1.554790 525.0 1.518729 2748.0 9 -1.312316 11364.0 1.124524 825.0 10 -1.170778 0.0 1.345256 345.0 Writing 2 frames along eigenvector 1 to extreme1-101.pdb Writing 2 frames along eigenvector 2 to extreme1-102.pdb Writing 2 frames along eigenvector 3 to extreme1-103.pdb Writing 2 frames along eigenvector 4 to extreme1-104.pdb Writing 2 frames along eigenvector 5 to extreme1-105.pdb Writing 2 frames along eigenvector 6 to extreme1-106.pdb Writing 2 frames along eigenvector 7 to extreme1-107.pdb Writing 2 frames along eigenvector 8 to extreme1-108.pdb Writing 2 frames along eigenvector 9 to extreme1-109.pdb Writing 2 frames along eigenvector 10 to extreme1-1010.pdb -- Pawan -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php