Re: charmm-gui namd inputs not working namd

From: Ribi Akbar (ra.ribiakbar_at_gmail.com)
Date: Sun Jul 17 2022 - 16:30:34 CDT

That simply means that such a file is not present in the previous folder.
If the file is in your working directory, you can delete the " ../" command

On Sun, Jul 17, 2022, 23:28 İmren Bayıl <ib57001_at_student.gaziantep.edu.tr>
wrote:

> my system is dna-ligand.I created inputs files (charmm36) for namd in to
> the charmm-gui.
> for namd simulation I am getting this error How to fix this error please
> FATAL ERROR: couldn't read file "../step3_pbcsetup.str": no such file or
> directory
> while executing
> "exec tr "\[:upper:\]" "\[:lower:\]" < ../step3_pbcsetup.str | sed -e "s/
> =//g" > step3_input.str"
> (file "step4_equilibration.inp" line 9)
>

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