On Mon, 14 Mar 2016 13:22:42 +0000
Shilpa Gupta <guptashilpa_91.yahoo.com> wrote:
> Dear Amber users,
> i am getting non integral charges (19.994) on my macromolecule.
> How can i neutralise the charge using addions in tleap. Thanks in
> advance.
Type 'help addions' in leap and read the manual. I spotted an example
in the latter when I searched for 'neutralize'.
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Received on Mon Mar 14 2016 - 07:00:04 PDT
