Did you perhaps use semiisotropic pressure coupling? I'd expect the X-Y values to be the same for that.
----- Original Message ---- From: Sona Aramyan <[EMAIL PROTECTED]> To: Discussion list for GROMACS users <gmx-users@gromacs.org> Sent: Thursday, November 1, 2007 1:18:07 PM Subject: [gmx-users] Regarding Box-X Box-Y values from g_energy Dear gmx-users I have a system consisting from 128dppc bilayer which I've took from http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies) and 1 molecule of DALA. I have 2ns run of it. In my g_energy output energy.xvg, in which I have Box-X Box-Y Box-Z values, the values of Box-X and Box-Y at every step of time have exactly same values. How can this two values change with the same quantity? Is this a real problem, can I use the results of the it or something is wrong with this simulation? I'm sending to you a part of my energy.xvg Any suggestions and advises will be very very appreciated. # This file was created by g_energy # which is part of G R O M A C S: # Gnomes, ROck Monsters And Chili Sauce # All this happened at: Thu Oct 25 15:12:53 2007 # @ title "Gromacs Energies" @ xaxis label "Time (ps)" @ yaxis label "E (kJ mol\S-1\N)" @TYPE xy @ view 0.15, 0.15, 0.75, 0.85 @ legend on @ legend box on @ legend loctype view @ legend 0.78, 0.8 @ legend length 2 @ s0 legend "Box-X" @ s1 legend "Box-Y" @ s2 legend "Box-Z" 0.000000 6.343720 6.343720 6.777830 4.000000 6.279631 6.279631 6.709337 8.000000 6.246550 6.246550 6.673972 12.000001 6.291696 6.291696 6.722235 16.000000 6.274485 6.274485 6.703831 20.000000 6.259673 6.259673 6.688022 24.000002 6.274458 6.274458 6.703805 28.000002 6.269053 6.269053 6.698055 32.000000 6.273066 6.273066 6.702339 36.000000 6.277720 6.277720 6.707294 40.000000 6.268405 6.268405 6.697363 44.000004 6.262165 6.262165 6.690718 48.000004 6.271516 6.271516 6.700673 52.000004 6.282900 6.282900 6.712825 56.000004 6.268004 6.268004 6.696920 60.000004 6.275951 6.275951 6.705416 64.000000 6.283990 6.283990 6.713978 68.000000 6.268332 6.268332 6.697258 72.000000 6.268672 6.268672 6.697591 76.000000 6.282032 6.282032 6.711858 80.000000 6.275910 6.275910 6.705327 84.000008 6.271963 6.271963 6.701087 88.000008 6.271978 6.271978 6.701059 92.000008 6.265982 6.265982 6.694634 96.000008 6.272739 6.272739 6.701852 100.000008 6.270991 6.270991 6.699977 104.000008 6.259323 6.259323 6.687513 108.000008 6.265584 6.265584 6.694173 112.000008 6.269279 6.269279 6.698182 116.000008 6.267590 6.267590 6.696383 120.000008 6.266372 6.266372 6.695080 124.000008 6.257270 6.257270 6.685329 128.000000 6.263762 6.263762 6.692231 132.000000 6.272191 6.272191 6.701218 136.000000 6.266236 6.266236 6.694935 140.000000 6.261252 6.261252 6.689645 144.000000 6.259418 6.259418 6.687694 148.000000 6.268799 6.268799 6.697742 152.000000 6.274210 6.274210 6.703519 156.000000 6.269886 6.269886 6.698938 160.000000 6.273304 6.273304 6.702565 164.000015 6.270255 6.270255 6.699334 168.000015 6.279771 6.279771 6.709496 172.000015 6.271050 6.271050 6.700203 176.000015 6.258578 6.258578 6.686853 180.000015 6.269828 6.269828 6.698884 184.000015 6.276379 6.276379 6.705905 188.000015 6.260080 6.260080 6.688455 192.000015 6.261606 6.261606 6.690063 196.000015 6.275762 6.275762 6.705174 200.000015 6.263684 6.263684 6.692267 __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
