[gmx-users] Calculating bond energy

[Yulia Einav]

Dear Gromacs users,

After performing MD simulations I want to calculate bond energy for the
disulfide bond present in the simulated structure. I didn't find the
option for doing this under g_energy command. Does any one know how to
do this type of analysis?

Any help will be useful!

 

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080528/22b26890/attachment.html>