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

xi zhao zhaoxiitc2002 at yahoo.com.cn
Thu Oct 25 04:46:31 CEST 2007


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

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