On Wed, Feb 23, 2011 at 5:25 PM, Justin A. Lemkul <[email protected]> wrote:
> > > sakthi kumaran wrote: > >> Dear all, >> Hi I am new to gromacs. I want to calculate the Van der waals >> interaction between two capped CNT facing each other using the pairwise LJ >> potential.I haven't used gromacs already. Any know-how/procedures to do the >> requiste would be very helpful.Whether Any tutorials are available for such >> a kind of thing... >> >> > > Running a simulation while setting proper energygrps to decompose > short-range nonbonded interactions sounds to be what you need to do. > > -Justin > > > Thank you in advance guys >> >> > > -- > ======================================== > > 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 > *sorry I am not getting that. Please explain*
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