[gmx-users] Question: How to delete water

Justin Lemkul jalemkul at vt.edu
Wed Dec 11 17:21:51 CET 2019



On 12/11/19 5:43 AM, John Whittaker wrote:
> To add on to your answer, Justin:
>
> The usage listed in the tutorial instructs you to use the "-nwater" flag
> to specify the number of atoms in a water molecule.
>
> The actual script uses "-water" as a flag, without the "n". I noticed this
> in a previous version of the script before the usage in the help message
> was changed.
>
> Just letting you know that the command on the tutorial page:
>
> (http://www.mdtutorials.com/gmx/membrane_protein/03_solvate.html)
>
> is different than the correct command, but only for that one flag.

Fixed, thank you!

-Justin

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