Sir,
If i am giving just the stripped off trajectory, then is it fine to not use
the -sp flag at all?
On Wed, 19 Feb 2020 at 8:57 PM, Elvis Martis <elvis_bcp.elvismartis.in>
wrote:
> Yes, You can do that.
> Alternatively, you can provide additional -sp (solvated prmtop) and
> solvated trajectories.
> Best Regards
>
>
>
> On Wed, 19 Feb 2020 at 20:31, Sruthi Sudhakar <
> sruthisudhakarraji.gmail.com>
> wrote:
>
> > Respected group members,
> >
> > I have a very basic doubt in running mmpbsa. Is it okay to strip off
> water
> > and ions from the trajectory files and then use that trajectory file to
> run
> > the mmpbsa calculation?
> >
> > I apologize if it is a poor question.
> >
> > Sruthi
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Received on Wed Feb 19 2020 - 08:30:02 PST
