Thank you very much for your suggestion. I've checked out. I've used isotropic pressure coupling. If anyone has more suggestion please share with me.
--- Alan Dodd <[EMAIL PROTECTED]> wrote: > 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? 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