For example; grompp -f run.mdp -p topol.top -c pr.gro -n index.ndx -o run.tpr mdrun -v -deffnm run
... 15000000 steps, 30000.0 ps. step 100, will finish Sun Nov 27 19:11:00 2011 Sometimes it shows as the following: 15000000 steps, 30000.0 ps. That is, there is not "will finish Sun Nov 27 19:11:00 2011" sentence 2011/10/19 Emanuel Birru <emanuel.bi...@monash.edu> > You can get them in the log file. (At the bottom) > > Cheers, > > > > > > > > ========================================================= > Emanuel Birru > PhD Candidate > > Faculty of Pharmacy and Pharmaceutical Sciences > Monash University (Parkville Campus) > 381 Royal Parade, Parkville > Victoria 3052, Australia > > Tel: Int + 61 3 9903 9187 > E-mail: emanuel.bi...@monash.edu > www.pharm.monash.edu.au > > -----Original Message----- > From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] > On Behalf Of Mark Abraham > Sent: Wednesday, 19 October 2011 3:08 PM > To: Discussion list for GROMACS users > Subject: Re: [gmx-users] calculation time > > On 19/10/2011 5:26 AM, ahmet yıldırım wrote: > > Dear users, > > > > Sometimes, in the end ( in production simulation), Gromacs doesn't > > show calculation/finish time on screen, why? How can we show it? > > I don't know what you mean. > > Mark > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Ahmet YILDIRIM
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists