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 >
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