[gmx-users] Charmm27 forcefield parameters for carbon nanotubes

[ashan wettasinghe]

On Fri, Nov 6, 2015 at 3:51 PM, Sanchaita Rajkhowa <srajkhowa18 at gmail.com>
wrote:

> Dear all,
>      I am trying to simulate a carbon nano-tube using CHARMM27 forcefield
> but I can't get it right. I have been following the "modeling carbon
> nano-tubes with gromacs" (http://chembytes.wikidot.com/grocnt) but it is
> done using opls-aa forcefield.  I have tried in a similar way but is having
> difficulty in getting the charmm27 forcefield parameters for carbon
> nanotubes. If somebody has done such kind of simulation, kindly share the
> parameters.
>
> Thanks,
> Sanchaita.
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