I would be happy to supply more information.. if someone could please look into this.. otherwise I will have to switch to storing every file and then just concatenating them which seems like a rather roundabout way of doing it.
On Fri, Jan 28, 2011 at 4:37 PM, Sai Pooja <saipo...@gmail.com> wrote: > This is the command: > > nbs submit -command "(/usr/local/gromacs/4.5.1/bin/mdrun_mpi -s rex_3.tpr > -e rex_3 -c after_rex_3 -cpi restart3 -cpo restart3 -ap > pend -g rexlog3 -x rextraj3);" -nproc 1 -name "GENHAM-DIHEDRAL-3" -mail > start end > > Pooja > > On Fri, Jan 28, 2011 at 4:20 PM, Mark Abraham > <mark.abra...@anu.edu.au>wrote: > >> On 29/01/2011 3:56 AM, Sai Pooja wrote: >> >>> Hi, >>> I am using tpbconv and mdrun to extend a simulation. I use it with the >>> append option but the files still get overwritten or erased. Can someone >>> help me in this regard? >>> Pooja >>> Commands (in python) >>> cmd = '(%s/tpbconv -extend %f -s rex_%d.tpr -o rex_%d.tpr)' >>> %(GROMPATH,dtstep,i,i) >>> os.system(cmd) >>> time.sleep(1) >>> cmd = 'nbs submit -command "' >>> cmd += '(%s/mdrun_mpi -noh -noversion -s rex_%d.tpr -e rex_%d -c >>> after_rex_%d -cpi restart%d -cpo restart%d -append -g rexlog%d -x rextraj%d >>> >/dev/null); ' %(GROMPATH,i,i,i,i,i,i,i) >>> cmd += '" ' >>> cmd += '-nproc 1 ' >>> cmd += '-name "GENHAM-DIHEDRAL-%d" '%(i) >>> cmd += '-mail start end ' >>> cmd += '-elapsed_limit 16h >> rexid' >>> os.system(cmd) >>> >> >> More useful for diagnostic and record-preservation purposes is to >> construct the cmd string and print it to stdout (or something). >> >> At the moment it is far from clear that your -cpi file exists for the new >> run. >> >> 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 >> > > > > -- > Quaerendo Invenietis-Seek and you shall discover. > -- Quaerendo Invenietis-Seek and you shall discover.
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