[gmx-users] van der Walls radius and implicit solvation

[Diogo Vila Viçosa]

Hi,

I have two questions regarding the generalized born models implemented in
GROMACS.

1) Is it possible to perform an MD run using implicit solvent with an
united-atom force field? If so, how are determined the van der Walls radii
for H atoms?

2) How are determined the other van der walls radii used in GROMACS?


Thanks in advance

Diogo Vila Viçosa
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