The command "nohup run.sh &" does not work for running run.sh in background.
On Wed, Aug 26, 2020 at 11:02 PM Christoph Junghans <[email protected]> wrote: > On Wed, Aug 26, 2020 at 10:53 AM Pragati Sharma <[email protected]> > wrote: > > > > Thanks christoph for the prompt response. > > > > I have one query though. > > > > I am running csg_inverse and consequent mdrun command for all steps > using run.sh script. I want to run the command in background. > > I tried writing "nohup" with mdrun in settings.xml file. Also tried > adding nohup before csg_inverse in script or also from the terminal. But > the process does not go to background and stops as soon shell is closed. > > How can I run the run.sh in background. > I think "nohup run.sh &" should work. > > Christoph > > > > Thanks for your help. > > > > > > On Tue, 25 Aug, 2020, 6:43 PM Christoph Junghans, <[email protected]> > wrote: > >> > >> On Tue, Aug 25, 2020 at 6:33 AM Pragati Sharma <[email protected]> > wrote: > >> > > >> > Hey Users, > >> > > >> > I am running a coarse grained simulation of 10mer PB. After 10 steps, > each of 2 ns, the non-bonded potentials seem to converge But the bonded > interactions are smoothed but seem a little shifted (attached files). The > convergence limit ( as seen from AB.bond.conv) also does not change in > these 10 steps (equal to ~ 100) and (I don't think It will match anymore) > >> > The convergence limit I have given is 0.003. > >> > Should the simulation be stopped at this point. I am confused if my > bonded potentials are correct? > >> There are scaling factors for the conversion factor you can set for > >> each interaction, that is is useful if one interaction hasn't fully > >> converged yet, like in your case. > >> > >> To your question, I would run it a little longer, e.g. you could just > >> iterate the bonded interaction for 50 steps overnight and see where it > >> gets. you > >> > >> Christoph > >> > >> > > >> > Thanks > >> > > >> > > >> > -- > >> > Join us on Slack: https://join.slack.com/t/votca/signup > >> > --- > >> > You received this message because you are subscribed to the Google > Groups "votca" group. > >> > To unsubscribe from this group and stop receiving emails from it, > send an email to [email protected]. > >> > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/CAMpF9Q1fYvv1%2BhSan-G-PTLzZkQT5DM-RN6cWm3WzBd7zdw_tA%40mail.gmail.com > . > >> > >> > >> > >> -- > >> Christoph Junghans > >> Web: http://www.compphys.de > >> > >> -- > >> Join us on Slack: https://join.slack.com/t/votca/signup > >> --- > >> You received this message because you are subscribed to the Google > Groups "votca" group. > >> To unsubscribe from this group and stop receiving emails from it, send > an email to [email protected]. > >> To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/CAHG27e6pwfPhPsssdm-n9wxHp8yR2d-WixqzML3f454Xwg7mSA%40mail.gmail.com > . > > > > -- > > Join us on Slack: https://join.slack.com/t/votca/signup > > --- > > You received this message because you are subscribed to the Google > Groups "votca" group. > > To unsubscribe from this group and stop receiving emails from it, send > an email to [email protected]. > > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/CAMpF9Q0sQ5ZUC5BW4WPGCMnSppx%2BGYo1o-OT3FH7d8_z5prdrw%40mail.gmail.com > . > > > > -- > Christoph Junghans > Web: http://www.compphys.de > > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/CAHG27e7OVsZ0B2sT9KfKH9UJ%2BD1Wo4soDrb2a%2B5fOV2hj4-geQ%40mail.gmail.com > . > -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAMpF9Q12O%2B-M20Ti1aTRrE6pyBbUh1r_Vhh4YuR_-6zge%3D7wCQ%40mail.gmail.com.
