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 - 07:30:03 PST
