[gmx-users] entropy calaculted script??
leafyoung at yahoo.com
Tue Oct 23 13:36:11 CEST 2007
I doubt that no one could give you such script.
To plot free energy surface, you can utilize Rg/Q or Rg/ContactNumber or dPCA (http://wiki.gromacs.org/index.php/Dihedral_PCA) analysis.
----- Original Message ----
From: xi zhao <zhaoxiitc2002 at yahoo.com.cn>
To: gmx-users at gromacs.org
Sent: Tuesday, October 23, 2007 7:21:12 PM
Subject: [gmx-users] entropy calaculted script??
Dear Gro-usr friends:
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!
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