回复： Re: [gmx-users] g_energy has no bond entry when MD analysis

[xi zhao]

Yes, I use bond constraints! 
Mark Abraham <mark.abraham at anu.edu.au> 写道：  > Dear friends:
> when my MD was finished and I want to analyse the bond energy of the
> protein ,but g_energy did not show bond entry: the first entry is angle?
> When energy miniumzation finished,g_energy did show G96 bond. why?

So, when did you use bond length constraints? What effect would they have?

Mark

_______________________________________________
gmx-users mailing list gmx-users at gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
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


       
---------------------------------
雅虎邮箱，终生伙伴！ 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20071025/df636663/attachment.html>