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].
