On Sun, Jul 25, 2021, He, Amy wrote:
>after I set up the system with the leap program, I found that the ions are
>always written before the waters.
You can use "set default reorder_residues off" in your leap file to prevent
the re-ordering of residues. Don't worry about the warnings in the manual:
I use this option all the time, and have never seen any problems.
Then, in your input PDB file, put the ions and waters in the order that you
want.
....dac
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Received on Sun Jul 25 2021 - 05:30:02 PDT
