On Thu, Aug 27, 2020, 01:16 Pragati Sharma <[email protected]> wrote:
> The command "nohup run.sh &" does not work for running run.sh in > background. > What is the error message? Otherwise try running it normally in foreground and then press control-Z and type 'bg' (see https://www.informit.com/articles/article.aspx?p=2854374&seqNum=6) Christoph > 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 > <https://groups.google.com/d/msgid/votca/CAMpF9Q12O%2B-M20Ti1aTRrE6pyBbUh1r_Vhh4YuR_-6zge%3D7wCQ%40mail.gmail.com?utm_medium=email&utm_source=footer> > . > -- 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. 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