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<DIV>I doubt that no one could give you such script.</DIV>
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<DIV>To plot free energy surface, you can utilize Rg/Q or Rg/ContactNumber or dPCA (<A href="http://wiki.gromacs.org/index.php/Dihedral_PCA">http://wiki.gromacs.org/index.php/Dihedral_PCA</A>) analysis.<BR> </DIV>Regards,<BR>Yang Ye
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<DIV style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman, new york, times, serif">----- Original Message ----<BR>From: xi zhao <zhaoxiitc2002@yahoo.com.cn><BR>To: gmx-users@gromacs.org<BR>Sent: Tuesday, October 23, 2007 7:21:12 PM<BR>Subject: [gmx-users] entropy calaculted script??<BR><BR>
<DIV>Dear Gro-usr friends:</DIV>
<DIV>I want to calculat the entropy during the md,but lack calculting script for the entropy. Who can provide it for me? Thank you very much! </DIV>
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