[gmx-users] g_helixorient issue
Hi ALL, I am trying to find out the tilt of a helix during a simulation. I am using g_helixorient with the -otilt option. However I am getting the following output, which when plotted using xmgrace, gives a straight along y=0. --- # # g_helixorient is part of G R O M A C S: # # GRoups of Organic Molecules in ACtion for Science # @title Cumulative local helix tilt @xaxis label Time(ps) @yaxis label Tilt (degrees) @TYPE xy 2 03.595408201224.23953723907 5.74576044083 5.64022207262.993204355243.96751046181 6.915472984316.317507743845.708302021031.80687570572 7.904520511635.554297924044.3107757568413.4955091476 10.86933803566.696783542631.318642735488.81209087372 15.092011451716.443498611513.575768470812.6605091095 9.89414119725.959523200992.222523212434.23878717422 11.912554740915.239257812510.13733291632.50473761559 2.987089633940 4 0 0.1932501047851.85375285149 4.660104274755.734657764433.596650362013.71966171265 5.862170696265.205702304844.286367416385.67181348801 11.8561506271 10.8149480825.253306865693.01665711403 3.188149690636.1265802383410.878685951213.1984567642 15.8662624359 17.9544162759.977549552923.82837629318 7.255657672884.875072002413.158228397375.81644439697 6.565203189857.591495513925.399117946622.35803961754 4.941868305210 6.0047684 02.78084087372 2.5538725853 3.536648511898.4336194992114.915288925213.8589410782 6.6992340087911.7872600555 17.235452652 10.804684639 12.89069366468.979190826425.7719144821210.7680120468 9.713017463688.8874626159711.251163482710.2795152664 8.691395759587.554894447333.242376565931.74266982079 2.973826408394.069952487953.690156698232.21045541763 2.921667337424.463324546814.281089782713.39760541916 4.103402614590 8 0 5.4110045433 5.6742272377 8.93139266968 11.787487038.761271476755.92636489868 2.527382135396.2623438835110.01829242712.88692927361 8.243747711184.966527462018.7450408935517.1016178131 14.6491327286 8.43484878549.4807758331311.1341199875 11.373338699314.302871704112.88017845157.42469358444 3.84174942974.058297157291.937186241152.07590007782 6.721652030949.818412780769.60572147369 6.2793135643 4.37946939468 --- How to visualize this file properly? Why is the .xvg file written in this manner? Any suggestion is welcome. Regards, Anirban -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
[gmx-users] g_helixorient issue
Hi ALL, I am trying to find out the tilt of a helix during a simulation. I am using g_helixorient with the -otilt option. However I am getting the following output, which when plotted using xmgrace, gives a straight along y=0. --- # # g_helixorient is part of G R O M A C S: # # GRoups of Organic Molecules in ACtion for Science # @title Cumulative local helix tilt @xaxis label Time(ps) @yaxis label Tilt (degrees) @TYPE xy 2 03.595408201224.23953723907 5.74576044083 5.64022207262.993204355243.96751046181 6.915472984316.317507743845.708302021031.80687570572 7.904520511635.554297924044.3107757568413.4955091476 10.86933803566.696783542631.318642735488.81209087372 15.092011451716.443498611513.575768470812.6605091095 9.89414119725.959523200992.222523212434.23878717422 11.912554740915.239257812510.13733291632.50473761559 2.987089633940 4 0 0.1932501047851.85375285149 4.660104274755.734657764433.596650362013.71966171265 5.862170696265.205702304844.286367416385.67181348801 11.8561506271 10.8149480825.253306865693.01665711403 3.188149690636.1265802383410.878685951213.1984567642 15.8662624359 17.9544162759.977549552923.82837629318 7.255657672884.875072002413.158228397375.81644439697 6.565203189857.591495513925.399117946622.35803961754 4.941868305210 6.0047684 02.78084087372 2.5538725853 3.536648511898.4336194992114.915288925213.8589410782 6.6992340087911.7872600555 17.235452652 10.804684639 12.89069366468.979190826425.7719144821210.7680120468 9.713017463688.8874626159711.251163482710.2795152664 8.691395759587.554894447333.242376565931.74266982079 2.973826408394.069952487953.690156698232.21045541763 2.921667337424.463324546814.281089782713.39760541916 4.103402614590 8 0 5.4110045433 5.6742272377 8.93139266968 11.787487038.761271476755.92636489868 2.527382135396.2623438835110.01829242712.88692927361 8.243747711184.966527462018.7450408935517.1016178131 14.6491327286 8.43484878549.4807758331311.1341199875 11.373338699314.302871704112.88017845157.42469358444 3.84174942974.058297157291.937186241152.07590007782 6.721652030949.818412780769.60572147369 6.2793135643 4.37946939468 --- How to visualize this file properly? Why is the .xvg file written in this manner? Any suggestion is welcome. Regards, Anirban -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
[gmx-users] g_helixorient issue
Hi ALL, I am trying to find out the tilt of a helix during a simulation. I am using g_helixorient with the -otilt option. However I am getting the following output, which when plotted using xmgrace, gives a straight along y=0. --- # # g_helixorient is part of G R O M A C S: # # GRoups of Organic Molecules in ACtion for Science # @title Cumulative local helix tilt @xaxis label Time(ps) @yaxis label Tilt (degrees) @TYPE xy 2 03.595408201224.23953723907 5.74576044083 5.64022207262.993204355243.96751046181 6.915472984316.317507743845.708302021031.80687570572 7.904520511635.554297924044.3107757568413.4955091476 10.86933803566.696783542631.318642735488.81209087372 15.092011451716.443498611513.575768470812.6605091095 9.89414119725.959523200992.222523212434.23878717422 11.912554740915.239257812510.13733291632.50473761559 2.987089633940 4 0 0.1932501047851.85375285149 4.660104274755.734657764433.596650362013.71966171265 5.862170696265.205702304844.286367416385.67181348801 11.8561506271 10.8149480825.253306865693.01665711403 3.188149690636.1265802383410.878685951213.1984567642 15.8662624359 17.9544162759.977549552923.82837629318 7.255657672884.875072002413.158228397375.81644439697 6.565203189857.591495513925.399117946622.35803961754 4.941868305210 6.0047684 02.78084087372 2.5538725853 3.536648511898.4336194992114.915288925213.8589410782 6.6992340087911.7872600555 17.235452652 10.804684639 12.89069366468.979190826425.7719144821210.7680120468 9.713017463688.8874626159711.251163482710.2795152664 8.691395759587.554894447333.242376565931.74266982079 2.973826408394.069952487953.690156698232.21045541763 2.921667337424.463324546814.281089782713.39760541916 4.103402614590 8 0 5.4110045433 5.6742272377 8.93139266968 11.787487038.761271476755.92636489868 2.527382135396.2623438835110.01829242712.88692927361 8.243747711184.966527462018.7450408935517.1016178131 14.6491327286 8.43484878549.4807758331311.1341199875 11.373338699314.302871704112.88017845157.42469358444 3.84174942974.058297157291.937186241152.07590007782 6.721652030949.818412780769.60572147369 6.2793135643 4.37946939468 --- How to visualize this file properly? Why is the .xvg file written in this manner? Any suggestion is welcome. Regards, Anirban -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
