Dear Justin, Thank you very much for reply. My commands
gmx trjconv -s ../step7_1.tpr -f md.xtc -o md_nojump.xtc -pbc nojump gmx trjconv -s ../step7_1.tpr -f md_nojump.xtc -pbc mol -ur compact -n ../index.ndx -fit transxy -o md_noPBC.xtc I got the inconsistent shifts error middle of the trajectory. Best regards, Mijiddorj > > ------------------------------ > > Message: 5 > Date: Wed, 14 Dec 2016 07:54:53 -0500 > From: Justin Lemkul <[email protected]> > To: [email protected] > Subject: Re: [gmx-users] Inconsistent shifts > Message-ID: <[email protected]> > Content-Type: text/plain; charset=windows-1252; format=flowed > > > > On 12/14/16 2:06 AM, Mijiddorj Batsaikhan wrote: > > Dear gmx users, > > > > I simulated membrane and protein system. I would like to make analysis, > and > > during the removing periodicity, I got the inconsistent shifts fatal > error. > > How can fix this error? Can you help me? > > > > Not without seeing your exact sequence of commands. > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Ruth L. Kirschstein NRSA Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 629 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > [email protected] | (410) 706-7441 > http://mackerell.umaryland.edu/~jalemkul > > ================================================== > -- 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].
