[gmx-users] entropy calaculted script??

Yang Ye 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.
Yang Ye

----- 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! 

@yahoo.cn 新域名、无限量,快来抢注!

-----Inline Attachment Follows-----

gmx-users mailing list    gmx-users at gromacs.org
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 gmx-users-request at gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20071023/9486aadd/attachment.html>

More information about the gromacs.org_gmx-users mailing list