Dear gromacs users, I ran this tutorial Protein-Ligand Complex with Gromacs 5.1 on a gtx 960 single precision mode. | | | | | | | | | | | Protein-Ligand ComplexThis example will guide a new user through the process of setting up a simulation system containing a protein (T4 lysozyme L99A/M102Q) in complex with a ligand. | | | | Просмотреть на ... | Предварительный просмотр с помощью Yahoo | | | | |
But when I use gmx energy to extract Coulomb and LJ, it shows zero:This is the output: Statistics over 500001 steps [ 0.0000 through 1000.0000 ps ], 2 data setsAll statistics are over 5001 points Energy Average Err.Est. RMSD Tot-Drift-------------------------------------------------------------------------------Coul-SR:Protein-JZ4 0 0 0 0 (kJ/mol)LJ-SR:Protein-JZ4 0 0 0 0 (kJ/mol) This also happens when I run DNA-ligand simulations as well.What can I do?Best regards,Hovakim -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
