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

Diogo Vila Viçosa diogo.vicosa at fc.ul.pt
Tue Jan 11 19:19:00 CET 2011


I have two questions regarding the generalized born models implemented in

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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