try put -s before -deffnm mdrun_mpi -s -deffnm file_name -multi 120 -replex 250 -cpi -append
On Sun, May 20, 2012 at 4:50 PM, Tomek Wlodarski <[email protected]>wrote: > Hi Francesco, > > Thanks! > However, it does not work with my case.. > > tomek > > On Sun, May 20, 2012 at 1:47 PM, francesco oteri < > [email protected]> wrote: > >> Hi, >> usually I use something like: >> >> mdrun_mpi -v -deffnm topol_ -multi 72 -replex 1000 *-cpt* >> * >> * >> gromacs is smart enough to understand that it has to load topol_1.cpt >> topol_2.cpt ecc.ecc >> >> >> Anyway, you can do a small test, i.e. using 5 replicas and stopping you >> simulation after a few seconds >> >> >> Francesco >> >> 2012/5/20 Tomek Wlodarski <[email protected]> >> >>> Hi, >>> >>> I am running REMD simulation: >>> >>> mdrun_mpi -v -deffnm -s topol_ -multi 72 -replex 1000 >>> >>> I am getting files with name like -s* (for example -s1.trr) >>> >>> How now I could restart this simulation? >>> I know that for regular MD simulation only I need -cpi cpt_file_name >>> --append to add, but what with REMD simulation (I have cpt file: for >>> example -s1_prev.cpt?) >>> >>> Something like: -cpi "-s" ?? >>> Thanks for suggestions! >>> Best! >>> >>> tomek >>> >>> -- >>> gmx-users mailing list [email protected] >>> 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 [email protected]. >>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>> >> >> >> >> -- >> Cordiali saluti, Dr.Oteri Francesco >> >> -- >> gmx-users mailing list [email protected] >> 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 [email protected]. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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