Sorry to ask this question but setting the gen_vel=yes and gen_seed = -1 will eventually lead to different simulation and thus different simulated structures ?? .. and after completing one set of simulation with this paramter and 3ns time .. do i have to repeat it some 3 or more times ??.... pls comment.. as I am going to start simulation with these parameters.
On Wed, Feb 2, 2011 at 5:27 AM, Justin A. Lemkul <[email protected]> wrote: > > > bharat gupta wrote: > >> Thanks for such a detailed reply to my queries .. But conducting a 50ns >> simulation will take time ... so i want to conduct independent simulation >> and for that I searched some threads but was not able to get the proper >> description and method... if u can guide me through an appropriate link .. >> it would be much more helpful .. >> > > Each simulation begins with the assignment of random velocities (gen_vel = > yes). Specify different values of gen_seed (or leave it set to -1) to get > different velocities each time. > > -Justin > > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists > -- Bharat Ph.D. Candidate Room No. : 7202A, 2nd Floor Biomolecular Engineering Laboratory Division of Chemical Engineering and Polymer Science Pusan National University Busan -609735 South Korea Lab phone no. - +82-51-510-3680, +82-51-583-8343 Mobile no. - 010-5818-3680 E-mail : [email protected]
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