Date: Thu, 9 Jan 2025 21:43:04 -0700
From: David A Case <david.case.rutgers.edu>
To: Airy Sanjeev <airy.sanjeev01.gmail.com>, AMBER Mailing List
<amber.ambermd.org>
Subject: Re: [AMBER] Problem in stapled peptides
On Wed, Jan 08, 2025, Airy Sanjeev via AMBER wrote:
>
> I have a protein that is covalently attached to two ligands at two
> positions 272 and 276, and these ligands are covalently attached to each
> other. I am not able to save the parameter and coordinate files. I am
> attaching the files here. Any lead would be much appreciated.
The file you are *not* attaching is the key one: the leap.log file.
Problems that tleap finds will also be printed to the terminal. Somewhere
in that will probably be very useful information.
....dac
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Received on Thu Jan 09 2025 - 22:00:02 PST
