From: HEMANTH H (hemanth.h_at_iitgn.ac.in)
Date: Fri May 22 2020 - 09:26:15 CDT
Refer CHARMM-GUI for detailed instructions on how to do it. VMD might not
be the best tool to solvate the structure, if you need SWM4 out of the box.
On Fri, May 22, 2020 at 6:09 AM Qasim Pars <qasimpars_at_gmail.com> wrote:
> Dear users,
> I have the pdb file of a molecule and want to solvate that molecule with
> SWM4 water model. Then I would run the solvated system using NAMD with
> Drude FF after doing parameterization.
> Does anyone know how I can solvate the pdb file of a molecule with SWM4
> water model?
> Any help would be appreciated.
> Qasim Pars
-- *Hemanth H 18310019* Research Scholar IIT Gandhinagar
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