[gmx-users] Is Gromos force field 45a3 out of dated?

Chih-Ying Lin chihying2008 at gmail.com
Tue Oct 8 19:30:39 CEST 2013


Hello,
I submitted a paper and get rejected immediately by editor because of the
following comment.

"The simulations described here rely on an outdated force field (Gromos
45a3) and I suspect that the partial unfolding described here is at least
in part due to force field artifacts. "


Our simulation work fit the results from the experimental work quite well
but the editor returned his suspicion.


Is the force field Gromos 45a3 outdated?
Could anyone refer me more details about the force field of Gromos 45a3?
Could anyone refer me about any cases of the broken simulation from the
force field artifacts?


Thank you
Lin



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