search

HanatoK / NAMD_Wishlist

NAMD Wishlist
0 stars 0 forks source link

Support CHARMM drude force field on GPU #9

Open HanatoK opened 4 years ago

HanatoK commented 4 years ago

Implement the computations in ComputeThole.* and ComputeAniso.* in the bonded CUDA kernel.

HanatoK commented 2 years ago

We may also need drude with FEP.