Hi I have read the manual , Appendix C. After the command g_energy =>
Energy Average RMSD Fluct. Drift Tot-Drift ------------------------------------------------------------------------------- Potential -196428 372.215 340.852 5.18038 518.043 Kinetic En. 37754.5 219.122 219.116 0.0585484 5.8549 Total Energy -158674 302.504 261.985 5.23893 523.899 Temperature 301.814 1.75169 1.75164 0.000468047 0.0468051 Pressure (bar) 346.087 165.538 165.471 0.162984 16.2986 Heat Capacity Cv: 12.4724 J/mol K (factor = 3.36849e-05) What is the definition of RMSD, Fluct. Drift, Tot-Drift? Thank you Lin _______________________________________________ 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
