[gmx-users] script

[Amin Rouy]

Thank you Justin.

Yes, Quyen I've read the manual. I got helps from Justin's scrips in his
tutorial page (great source) and googled before I came to write here.


On Thu, Mar 7, 2019 at 4:01 PM Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 3/7/19 9:56 AM, Quyen Vu wrote:
> > my question for you: have you ever read gromacs manual/documentation?
>
> Where in the GROMACS manual do we discuss how to use Linux commands to
> alter scripts in this way? Please do not simply dismiss others'
> questions; it is not productive and not helpful. There are legitimate
> cases of users not utilizing documentation and web searching, but I
> would argue this is not one of them.
>
> > On Thu, Mar 7, 2019 at 1:14 PM 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?
>
> You can make replacements in files using standard Linux utilities like
> sed, in conjunction with others like grep and awk. This isn't a
> GROMACS-specific issue, so I'd suggest looking at more general Linux
> forums.
>
> -Justin
>
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