On Tue, Feb 27, 2024, Montalvillo, Fernando via AMBER wrote:
>I installed Amber20 with AmberTools23 (i don't know if that is a
>problem).
I'm not sure if this is relevant to your problem,, but Amber20 should not be
installed with AmberTools23. I suggest you upgrade to Amber22, which is
compatible with AmberTools23.
>
>#!/bin/bash
>#SBATCH --job-name=ti_ligands
>#SBATCH --nodes=1
>#SBATCH --ntasks=16
Try a job with ntasks=2, just to see if anything changes
>#SBATCH --partition=torabifard
>#SBATCH --time=48:00:00
>#SBATCH --output=ti_complex_%j.out
>#SBATCH --error=ti_complex_%j.err
Did you examine the .out and .err files?
....dac
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Received on Fri Mar 01 2024 - 18:00:02 PST
