subject:"\[votca\] Bonded Potential"

Re: [votca] Bonded Potential

2016-10-17 Thread Christoph Junghans

2016-10-14 14:49 GMT-06:00 John Voorehes : > I have recently completed the tutorial for the bonded interactions for > hexane using csg_boltzmann on single molecule of hexane. So it has for > bonded potential, a A-B bond only. However, for my molecule, the beads are > different

[votca] Bonded Potential

2016-10-14 Thread John Voorehes

I have recently completed the tutorial for the bonded interactions for hexane using csg_boltzmann on single molecule of hexane. So it has for bonded potential, a A-B bond only. However, for my molecule, the beads are different (for example A-B-C). How could I separate the tabulated potential