Re: [AMBER] Error: Could not open file frcmod.ions1lm_126_hfe_opc: not found

From: Akinyemi Omoniyi <aaomoniyi2014.gmail.com>
Date: Sun, 30 May 2021 14:48:57 +0200

Thank you for your reply.

The tutorial was:
[image: Filler image]

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1.4 Building Protein Systems in Explicit Solvent
https://ambermd.org/tutorials/basic/tutorial7/index.php

Best,
Akinyemi

On Sun, May 30, 2021, 14:05 David A Case <david.case.rutgers.edu> wrote:

> On Sun, May 30, 2021, Akinyemi Omoniyi wrote:
> >
> >I'm following the amber tutorial and loading all the parameters but got an
> >error message "Error: Could not open file frcmod.ions1lm_126_hfe_opc: not
> >found"
>
> Looks like the tutorial has fallen out of date: these water/opc files were
> reorganized recently. Can you say which tutorial you are running?
>
> >> loadamberparams frcmod.ions1lm_126_hfe_opc
>
> I think you should be able to just remove this line from your input. The
> leaprc.water.opc file in AmberTools21 should be loading the proper ion
> parameters. (If that somehow fails, remove the "_126" from the file name
> above.)
>
> ...dac
>
>
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Received on Sun May 30 2021 - 06:00:04 PDT