4 ms·
Well put. Of course Anton's Force field isn't accurate enough to correctly predict conformational equilibria of proteins ;P although it does scale!
by alpineidyll3 4y ago
Well put. Of course Anton's Force field isn't accurate enough to correctly predict conformational equilibria of proteins ;P although it does scale!
- mechagodzilla 4y agoThat’s just a general limitation of the fixed-charge Amber/charmm molecular mechanics force fields everyone uses for molecular dynamics (whether you’re running on an Anton, or running gromacs or namd on a cluster or GPU, they all use the same MMFFs).