[gmx-users] Specifying more than one index group via the command line

Francisco Lobo Cabrera francisco.lobo6 at gmail.com
Tue Oct 23 10:41:26 CEST 2018


Yes thank you I thought it had to be specified with a specific command in
GROMACS.
In effect, just linux works.

Francisco

On Tue, Oct 23, 2018 at 10:15 AM Peter Stern <peter.stern at weizmann.ac.il>
wrote:

> Hi,
>
> This is really a linux and not a gromacs question.  There are many ways of
> inputting data to a script depending upon which shell you use.
> One way is to input the data from a file.
> You should google how to do this for the shell you use (bash, tcsh, etc.)
> and choose the solution which suits you.
>
> Peter
>
> -----Original Message-----
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <
> gromacs.org_gmx-users-bounces at maillist.sys.kth.se> On Behalf Of Francisco
> Lobo Cabrera
> Sent: Tuesday, October 23, 2018 10:24 AM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Specifying more than one index group via the command
> line
>
> Hello:
>
> Is it possible to specify several index groups through the command line?
>
> For example, to compute hydrogen bonds, hbond needs two index groups. This
> can be done through the interactive prompt, but I need to submit this
> instruction wtih a script. I have searched around but have not found
> anything.
>
> Thank you for your attention.
>
> Francisco
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>


More information about the gromacs.org_gmx-users mailing list