[AMBER] fixatomorder

From: Thakur, Abhishek <axt651.miami.edu>
Date: Tue, 7 Jul 2020 17:38:56 +0000

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 Jul 07 2020 - 11:00:03 PDT
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