On Tue, Jan 12, 2021, Sam Walsworth (Researcher) wrote:
>
>One small final thing: When I used the saveamberparm command, LEaP warned
>me there were bonds formed that were between 3 and 16 angstroms long
>(Warning: there is a bond of ... angstroms between:) but didn't specify
>where these bonds were located/which atoms connected.
Run the "check" command in cpptraj: it will identify long bonds for you.
(The fact that tleap is missing the identifiers has been fixed in the
development version, and will be a part of AmberTools21.)
You certainly should not ignore this.
...good luck....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jan 12 2021 - 05:30:03 PST
