[gmx-users] does gromos force field support implicit solvent?

[Mark Abraham]

Hi,

Probably not - it wasn't parameterised for such usage, and any such
re-deployment would require careful validation . Your background reading on
your choice of model physics is your best guide to doing good physics. :-)

Mark

On Wed, 3 Jun 2015 07:55 Ming Tang <m21.tang at qut.edu.au> wrote:

> Dear gromacs experts,
>
> I tried to  use gromos 54a7 force field to calculate persistence length of
> a helix in implicit solvent, but got GB parameters missing errors. When I
> tried to modify the implicit_genborn_params section, I found there is not
> gbsa.itp file in gromos54a7.ff
> does gromos force field support implicit solvent calculation?
>
> Thanks.
> --
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