Re: [AMBER] LEaP Error/questions.

From: David A Case <>
Date: Tue, 12 Jan 2021 08:21:37 -0500

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
Received on Tue Jan 12 2021 - 05:30:03 PST
Custom Search