[gmx-users] Van der waals interaction between nanotubes

[sakthi kumaran]

On Wed, Feb 23, 2011 at 5:25 PM, Justin A. Lemkul <jalemkul at vt.edu> 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
>
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*sorry I am not getting that. Please explain*
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