[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!

 

 

Yulia Einav Ph.D. 

 

Mathematical Biology Unit

Department of Applied Mathematics

Faculty of Sciences, H.I.T. 

52 Golomb Str. POB 305, Holon 58102, Israel.

Tel. 972-3-5026769, Fax. 972-3-5026769. 

E-mail: yulia_e at hit.ac.il, Web: http://www.hit.ac.il
<http://www.hit.ac.il/> 

 

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