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

Mark Abraham mark.abraham at anu.edu.au
Thu Oct 25 04:43:49 CEST 2007


> 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




More information about the gromacs.org_gmx-users mailing list