<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><DIV style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman, new york, times, serif">Have you simulated the system without the annealing, to see if it does the same thing? Bilayers are very sensitive to minor changes in setup, using someone else's equilibrated bilayer coordinates doesn't mean it's equilibrated for your system.<BR><BR>
<DIV style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman, new york, times, serif">----- Original Message ----<BR>From: Q733 <sansanqin00@mails.tsinghua.edu.cn><BR>To: gmx-users@gromacs.org<BR>Sent: Wednesday, October 10, 2007 6:40:06 AM<BR>Subject: [gmx-users] anisotropic pressure coupling for temperature annealing<BR><BR>
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<DIV><FONT size=2>Dear gmx-users, I used anisotropic p-coupling for lipid bilayers and annealed the system from 330K-300K at the ratio of 2 degree/ns.And the x dimension and y dimension increased with time in the whole procedure, but actually the area/lipid should decrease when tempreture decreases. I think there may due to the P couple parameters I used. Now I write them here:</FONT></DIV>
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<DIV><FONT size=2> <FONT size=3><FONT size=2>tau_p = 2.0 2.0 2.0 0 0 0<BR>compressibility = 4.5e-6 4.5e-6 4.5e-6 0 0 0<BR>ref_p = 1 1 1 1 1 1</FONT> </FONT> </FONT></DIV>
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<DIV><FONT size=2>Is there anything wrong with my parameter? or should I use</FONT></DIV>
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<DIV><FONT size=2>ref_p = 1 1 1 0 0 0 </FONT></DIV>
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<DIV><FONT size=2>I saw someone use this ref_p before.</FONT></DIV>
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<DIV><FONT size=2>Any suggestion will be appreciated, thanks in advance. </FONT></DIV>
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