Re: [gmx-users] frames in 2 trajectory files
trjcat Cheers, Tsjerk On Nov 30, 2011 6:11 AM, "Saba Ferdous" wrote: Dear Gromacs group, I was running simulation of protein complex, due to power outage, my simulation got interrupted. I resumed it by the mdrun command provided. it got resumed starting from the frame, it stopped. Now simulation's all steps have been completed. but half frames are in one trajectory file while rest are in other which was created after resume. for analysis purpose I want all frames in one trajectory file. Can you tell me the way of doing so? waiting anxiously for help from your side. Thanks with anticipation Best Regards -- Saba Ferdous Research Scholar (M. Phil) National Center for Bioinformatics Quaid-e-Azam University, Islamabad Pakistan -- gmx-users mailing listgmx-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 listgmx-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
Re: [gmx-users] frames in 2 trajectory files
On 30/11/2011 4:11 PM, Saba Ferdous wrote: Dear Gromacs group, I was running simulation of protein complex, due to power outage, my simulation got interrupted. I resumed it by the mdrun command provided. it got resumed starting from the frame, it stopped. Now simulation's all steps have been completed. but half frames are in one trajectory file while rest are in other which was created after resume. for analysis purpose I want all frames in one trajectory file. Can you tell me the way of doing so? See manual section 7.4 for clues on what tools do what. There's a tool for this task. Use the -h command on it for more help. Mark -- gmx-users mailing listgmx-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] frames in 2 trajectory files
Dear Gromacs group, I was running simulation of protein complex, due to power outage, my simulation got interrupted. I resumed it by the mdrun command provided. it got resumed starting from the frame, it stopped. Now simulation's all steps have been completed. but half frames are in one trajectory file while rest are in other which was created after resume. for analysis purpose I want all frames in one trajectory file. Can you tell me the way of doing so? waiting anxiously for help from your side. Thanks with anticipation Best Regards -- Saba Ferdous Research Scholar (M. Phil) National Center for Bioinformatics Quaid-e-Azam University, Islamabad Pakistan -- gmx-users mailing listgmx-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
