[gmx-users] wt% of the solvent

[Sam Dav]

ISHRAT
Thank you very much.

On Sun, Apr 2, 2017 at 11:50 PM, ISHRAT JAHAN <jishrat17 at gmail.com> wrote:

> Hi,
> You have to calculate the number of alcohol and water molecules in the box
> and use genbox command with -nmol option.In -nmol put number of alcohol
> molecule and from the output of genbox command remove the extra number of
> water molecules with the calculated one.
>
>
> On Sun, Apr 2, 2017 at 12:34 AM, Sam Dav <samdav800 at gmail.com> wrote:
>
> > Hello GROMACS users.
> > I'm trying to solvate a polymer in (20 wt% alcohol +80 wt% water)
> > which command should I use to get the correct percentage? I'm using
> linux.
> > or should I calculate the number of molecules in the box.
> > Thanks in advance
> > --
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