[gmx-users] forcefield validation

David Mobley dmobley at gmail.com
Wed Oct 17 18:04:46 CEST 2007


> articles didn't give out the validation procedure of their topologies in
> detail, are there some classic articles explaining how the forcefield we
> used today, such as OPLS, GROMOS, AMBER and CHARMM , developed? I want to
> know how they were deduced from the very beginning.

There is also a recent review article from Jay Ponder and someone else
(Dave Case, I think?) relating to this. You can find the reference on
Jay Ponder's web page.


> Any suggestion will be appreciated , thanks very much in advance.
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