If I load the PDB in leap then I won't have the CHARMM force field. I want to know if I can have both charmm parameters (for which I use charmm-gui) and OPC or TIP4P water model.
Danial
If you can go through a PDB file, you should be able to load it in leap
with the right water model defined, saving a new prmtop.
Bill
On 6/12/18 8:56 AM, Danial Pourjafar-Dehkordi wrote:
> Hi all!
>
> I?m using charmm-gui to solvate a protein and run the simulations using Amber. However, it seems like that the only water model available on charm-gui is TIP3P. I was wondering if there is a way to convert the water molecules of a *.parm7 file to another water model such as OPC or TIP4P?
>
> Would appreciate your help,
>
> Danial P.Dehkordi
> Institute of Theoretical Biophysics - Molecular Dynamics<https://www.t38.ph.tum.de/index.php?id=5>
> Physic Department<http://www.ph.tum.de/>
> Technical University of Munich
>
>
>
>
>
>
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Received on Fri Jun 15 2018 - 06:30:03 PDT
