Re: [AMBER] tleap changes order of atoms in the parm file

From: David A Case <>
Date: Thu, 10 Oct 2019 12:50:54 -0400

On Thu, Oct 10, 2019, Dawid das wrote:

>it doesn't work. It's really important for me to conserve the order from
>PDB file. How could I do it?

set default reorder_residues off

(at the beginning of your tleap script)


AMBER mailing list
Received on Thu Oct 10 2019 - 10:00:02 PDT
Custom Search