[gmx-users] script

[Amin Rouy]

Thank you guys,

On Thu, Mar 7, 2019 at 8:31 PM Pedro Deira <pedro.deira at gmail.com> wrote:

> You could use a sed command in your script to replace that line, something
> like
> sed "s/original expression/new expression/" filename -i
> But it depends a lot on how your mdp file is formatted in terms of spaces
> and tabs.
>
> Hope it helps,
>
>
> On Thu, 7 Mar 2019, 12:14 Amin Rouy, <aminrou1986 at gmail.com> wrote:
>
> > Hi
> >
> > I would like to change the temperature of the simulation (NPT.mdp) inside
> > my bash script, any one has idea?
> > thanks
> > --
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