Thank you guys, On Thu, Mar 7, 2019 at 8:31 PM Pedro Deira <pedro.de...@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, <aminrou1...@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 > > -- > > 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-requ...@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-requ...@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-requ...@gromacs.org.
