Hello Vitaly, Thank you very much for your advise. I will follow up the link you suggested.
regards, shankar _________________________________________________________________________________ Shankar Subramaniam 75 Hockanum Blvd., # 936 Vernon, CT 06066 Phone: 860-896-0104 (h) http://ssrn.com/author=793401 _________________________________________________________________________________ On Thu, Nov 15, 2012 at 5:18 PM, Dr. Vitaly Chaban <vvcha...@gmail.com>wrote: > > > > I would like to simulate water flow over a single carbon nanotube. > > The water temperature and flow speed needs to be varied independently > for a > > parametric study. > > I presume this is a non-equilibrium MD simulation. > > > > I am new to Molecular Dynamic Simulations. Can I use GROMACS for this > > problem ? > > > > I would appreciate suggestions from the user community. > > > Yes, you can use gromacs for this investigation. You will find the > following MDP-keywords useful: > http://manual.gromacs.org/current/online/mdp_opt.html#neq > > Dr. Vitaly V. Chaban > MEMPHYS - Center for Biomembrane Physics > Department of Physics, Chemistry and Pharmacy > University of Southern Denmark > Campusvej 55, 5230 Odense M, Denmark > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists > -- -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
