I see, Thank you for the information Justin.
On Sep 28, 2013, at 2:57 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 9/28/13 2:52 PM, Xu Dong Huang wrote: >> Justin, >> >> I see. Is there a way to *stitch* the two files together so I can continue >> onto a NPT run? >> > > Appending is the default behavior of mdrun, if invoked properly and the files > haven't been messed with. If not, trjcat appends trajectories and eneconv > appends energy files. > > -Justin > >> On Sep 28, 2013, at 2:49 PM, Justin Lemkul <jalem...@vt.edu> wrote: >> >>> >>> >>> On 9/28/13 2:46 PM, Xu Dong Huang wrote: >>>> Hello gromacs users, >>>> >>>> I restarted my run due to power failure using mdrun -v -s ****.tpr -cpi >>>> ****.cpt, but the output files generating -s.gro , -s.tpr -s.xtc, how do I >>>> make it so it continues to update the original .xtc and .tpr files? >>>> >>> >>> If you're getting files named -s.* as output, then what you typed above was >>> not your command. Always copy and paste. >>> >>> Likely, your mdrun line was mdrun -deffnm -s ..., in which case, the .tpr >>> file name is simply ignored and the file name prefix was set as "-s," as >>> your output would indicate. >>> >>> -Justin >>> >>> -- >>> ================================================== >>> >>> Justin A. Lemkul, Ph.D. >>> Postdoctoral Fellow >>> >>> Department of Pharmaceutical Sciences >>> School of Pharmacy >>> Health Sciences Facility II, Room 601 >>> University of Maryland, Baltimore >>> 20 Penn St. >>> Baltimore, MD 21201 >>> >>> jalem...@outerbanks.umaryland.edu | (410) 706-7441 >>> >>> ================================================== >>> -- >>> 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 >> > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > > ================================================== > -- > 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
