[gmx-users] How to construct user specified bond potential

[Jia Haitao]

Hello, everyone

In gromacs user manual 6.7, they form non-bond potentials using table files,
What should I do if I want to use a new *Bond* potential?
The new bond potential combines two harmonic bond
potentials,  Vb(r)=0.5K1(r-b1)^2+0.5K2(r-b2)^2. The first part is a standard
harmonic potential.
Besides, according  user manual 5.7, there is 10 function types in table
5.5. How can I use the 8th and 9th type?  Is there some examples? .
-- 
*
Jia Haitao
State Key Laboratory of Polymer Physics and Chemistry
Changchun Institute of Applied Chemistry
Chinese Academy of Sciences
Changchun 130022, CHINA
*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101207/543402d5/attachment.html>