Hi, Sure, but if you have a million frames, then you are probably doing something other than what you want or should do. See http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume
Mark On Sat, May 14, 2016 at 5:15 PM Upasana Ray <upasanaray...@gmail.com> wrote: > I have modelled my protein using homology modeling software & then have > used gromacs for energy minimization. > > gmx trjconv -f md22.xtc -s md22.tpr -o md22.pdb > then I have choosen only protein from the options > > On Sat, May 14, 2016 at 3:55 PM, Pratiti Bhadra <pratiti.bha...@gmail.com> > wrote: > > > How many frames do u save using trjconv?. Can you please post your full > > trjconv command here. > > On 14 May 2016 18:21, "Chalaoux, Francois-Regis" < > > francois-regis.chala...@evotec.com> wrote: > > > > > What is your protein, PDB Id ? > > > > > > FR. > > > > > > > Le 14 mai 2016 à 12:04:09, Upasana Ray <upasanaray...@gmail.com> a > > > écrit : > > > > > > > > yes I have removed water & the pdb file only contains protein > > > > > > > > On Sat, May 14, 2016 at 1:50 PM, Chalaoux, Francois-Regis < > > > > francois-regis.chala...@evotec.com> wrote: > > > > > > > >> Hi, > > > >> > > > >> Did you removed Water ? > > > >> Check also there is no other protein in the same file. > > > >> > > > >> FR. > > > >> > > > >>> Le 14 mai 2016 à 07:04:15, Upasana Ray <upasanaray...@gmail.com> a > > > >> écrit : > > > >>> > > > >>> Dear user, > > > >>> > > > >>> I have generated my final protein.pdb file by using trjconv command > > > from > > > >>> .xtc file. The size of my pdb file is 0.98 GB, so whenever I am > > opening > > > >> it > > > >>> for docking purpose my computer is freezing. Now how can I reduce > my > > > pdb > > > >>> file size from GB to MB for using it properly. please help me to > > deal > > > >>> with this problem. > > > >>> -- > > > >>> 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 gmx-users-requ...@gromacs.org. > > > >> > > > >> -- > > > >> 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 gmx-users-requ...@gromacs.org. > > > >> > > > > -- > > > > 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 gmx-users-requ...@gromacs.org. > > > > > > -- > > > 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 gmx-users-requ...@gromacs.org. > > -- > > 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 gmx-users-requ...@gromacs.org. > > > -- > 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 gmx-users-requ...@gromacs.org. -- 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 gmx-users-requ...@gromacs.org.