[gmx-users] rvdw and dispersion correction for amber99sb

Yun Shi yunshi09 at gmail.com
Tue Aug 21 06:30:12 CEST 2012

Hello all,

I am simulating protein-ligand complex with amber99sb force field in
TIP3P water. What would be a reasonable value rvdw? I  saw someone
uses 1.0, and I did not find any abnormality when using 1.4 nm for
rvdw, but where can I find the right reference?

And is this force field parameterized with or without dispersion
correction? (Better to turn it on or off?)


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