Dear gmx-users, sorry for my trivial questions, but I didn't find an answer searching in the Gromacs web site. I want to generate different trajectories on my system, and I used an .mdp file in which I set gen_seed = -1 together with gen_vel = yes and continuation = no to do this quickly. If I understand well, every time I launch my simulation, Gromacs will generate a different initial velocity. My questions are: - if I want to launch 5 different simulation, fixing gen_seed = -1 in my .mdp file I should obtain different results without doing every time grompp+mdrun. After the first grompp+mdrun, I have the .tpr file that includes already the information to generate random velocities, therefore for the second, third...etc. run I simply have to launch mdrun using the same .tpr file, right? - is there a way to check for the velocities or for the random seed used? I had a look at the .log file but I didn't find the information. g_traj generated a very big file, and presently I have some problems to analyze it. How can I see initial velocities? Many thanks and best regards Anna ____________________________________________________ Anna Marabotti, Ph.D. Laboratory of Bioinformatics and Computational Biology Institute of Food Science, CNR Via Roma, 64 83100 Avellino (Italy) Phone: +39 0825 299651 Fax: +39 0825 781585 Email: anna.marabo...@isa.cnr.it Skype account: annam1972 Web page: http://bioinformatica.isa.cnr.it/anna/anna.htm "If you think you are too small to make a difference, try sleeping with a mosquito"
-- 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
