[OC] The Most Common Atoms and Bonds in the Virtual Chemical UniverseSubmitted by Sulstice2 t3_z0gonq in dataisbeautiful
Sulstice2 OP t1_ix8enbd wrote
Reply to comment by Saint_Oliver in [OC] The Most Common Atoms and Bonds in the Virtual Chemical Universe by Sulstice2
CHARMM was awarded the Nobel Prize for being The software for Molecular Mechanics.
It isn't however a quantum chemistry package. I use Psi4 for that.
Saint_Oliver t1_ix9pz5e wrote
Very cool. It seems tailored for protein folding kind of calculations maybe? Way out of my comfort zone frankly.
Sulstice2 OP t1_ixau5zz wrote
It's actually for something called van der waals force if you have ever heard of it. It links to my thesis project or will eventually.
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