Hi,
Is it possible to use vibrational frequencies target with OpenMM? Or any other way to do a Hessian fit?
Thanks,
Michal
hessian fit openmm
- Lee-Ping Wang
- Posts: 102
- Joined: Sun Jun 19, 2011 5:14 pm
Re: hessian fit openmm
Yes, in the newest ForceBalance codes, it is possible to fit vibrational frequencies with OpenMM.
Thanks,
- Lee-Ping
Thanks,
- Lee-Ping
Re: hessian fit openmm
Hello,
Does the new vision support python3.7 ?
Thanks!
Huanxi
Does the new vision support python3.7 ?
Thanks!
Huanxi
- Lee-Ping Wang
- Posts: 102
- Joined: Sun Jun 19, 2011 5:14 pm
Re: hessian fit openmm
Python 3.7 is supported. I plan on uploading the release package to SimTK this week, but in the meantime you can head over to GitHub and download the source codes from there.