Hi,
The 'fixatomorder' command doesn't add or remove atoms. Can you be
more specific about what you did (actual commands, inputs, etc) and
post the exact error messages you are getting? Thanks.
-Dan
On Tue, Jul 7, 2020 at 1:39 PM Thakur, Abhishek <axt651.miami.edu> wrote:
>
> Hi Everyone,
>
> I have used fixatomorder to fix the prmtop files for my system. Now while running MM/PBSA it seems that complex prmtop files do not have the same number of atoms. I have been using the new fixed prmtop and inpcrd files to make the complex, receptor and ligand prmtop files.
> Then I have also I have tried making the pdb files from the trajectory to get the complex, receptor and ligand prmtop files but every time same error.
>
> Is there any suggestion will be highly appreciated.
>
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Received on Tue Aug 04 2020 - 07:30:03 PDT
