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 <[email protected]> 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 <[email protected]> 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 > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Assistant Professor > Office: 301 Fralin Hall > Lab: 303 Engel Hall > > Virginia Tech Department of Biochemistry > 340 West Campus Dr. > Blacksburg, VA 24061 > > [email protected] | (540) 231-3129 > http://www.thelemkullab.com > > ================================================== > > -- > 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 [email protected]. > -- 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 [email protected].
