[ESPResSo] Simultaneous declaration of bond length and bond angle potent
[ESPResSo] Simultaneous declaration of bond length and bond angle potentials
Sat, 5 Jan 2008 00:21:07 +0000
I have a question. Is it possible to define at the same time harmonic potential on the bond length and bond-angle potential on the bonds of the same type? It looks like the sequential declaration
inter 0 harmonic K1 R inter 0 angle K2 [PI]
doesn't work. As the result I have angular potential only. Could you kindly give me an advice how to do this? Or the only way is to connect particles with two bonds of different types and apply individual potential for each bond type?