Re: [votca] Bond Potential Extrapolation

2017-03-10 12:01 GMT-07:00 Joshua Moore : > Thanks! > > I had just added that and was going to do a pull request but you beat me to > it. > > That works much better now with that option. > > I was still having an issue though with the extrapolation, so I changed the > bond, angle

Re: [votca] Bond Potential Extrapolation

Thanks! I had just added that and was going to do a pull request but you beat me to it. That works much better now with that option. I was still having an issue though with the extrapolation, so I changed the bond, angle and torsion extrapolation to the sasha function in