Hi, No, some kind of breakage, e.g. a filesystem disappeared, or a file transfer was incomplete or the file was edited with some inappropriate tool.
Mark On Sat, 18 Apr 2020 at 11:46, Mijiddorj B <[email protected]> wrote: > Dear Justin, > > Thank you very much for your reply. I see. However, I have one more > question. Is it caused by usage of -noappend or other reasons? > > Best regards, > > Mijiddorj > > --------------------------------------------------------- > > > > Message: 1 > > Date: Fri, 17 Apr 2020 11:51:25 -0400 > > From: Justin Lemkul <[email protected]> > > To: [email protected] > > Subject: Re: [gmx-users] Failed to find GROMACS magic number in trr > > frame header > > Message-ID: <[email protected]> > > Content-Type: text/plain; charset=utf-8; format=flowed > > > > > > > > On 4/17/20 10:13 AM, Mijiddorj B wrote: > > > Dear GMX users, > > > > > > Hello, I performed MD simulation using gromacs 2018.7v. During this > > > simulation, the calculation was stopped because of the electric cut. > > Then, > > > I continued the simulation using "gmx mdrun with -noappend" in order to > > get > > > separate trajectory for the safety of data. After that, I would like to > > > concatenate the trr files. > > > However, I received following error message. > > > > > > How, can I concatenate these trajectories. > > > ********************************************** > > > Program: gmx trjcat, version 2018.7 > > > Source file: src/gromacs/fileio/trrio.cpp (line 114) > > > > > > Fatal error: > > > Failed to find GROMACS magic number in trr frame header, so this is > not a > > > trr > > > file! > > > > > > For more information and tips for troubleshooting, please check the > > GROMACS > > > website at http://www.gromacs.org/Documentation/Errors > > > ************************************************ > > > > Your file is corrupted and you will have to run that portion of the > > simulation again. > > > > -Justin > > > > -- > > ================================================== > > > > Justin A. Lemkul, Ph.D. > > Assistant Professor > > Office: 301 Fralin Hall > > Lab: 303 Engel Hall > > > > Virginia Tech Department of Biochemistry > > 340 West Campus Dr. > > Blacksburg, VA 24061 > > > > [email protected] | (540) 231-3129 > > http://www.thelemkullab.com > > > > ================================================== > > > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to [email protected]. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
