Modify a forcefield

Previous Topic Next Topic
classic Classic list List threaded Threaded
1 message Options
Reply | Threaded
Open this post in threaded view

Modify a forcefield

xh s

For research purposes I need to use some modified version of normal forcefields. How hard is it to modify the existing forcefields in openbabel as far as a couple new terms and new parameters in the MM equations? 


Check out the vibrant tech community on one of the world's most
engaging tech sites,!
OpenBabel-discuss mailing list
[hidden email]