Dear Gromacs Users, I have performed a protein in solvent simulation for 1 ns, the got the output files as: md_0_1.cpt md_0_1.edr md_0_1.gro md_0_1.log md_0_1.tpr md_0_1.trr md_0_1.xtc. I am following Justin Tutorial.
Can anybody tell me how to extract the coordinates ? of the simulated protein (file after extraction ?) and is it necessary to minimize the simulated protein in vacco to use it for further docking studies. Please help. Thanks, ram _______________________________________________ gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
