[gmx-users] Are Gromos 45a3 and GROMOS 53a6 compatible?
chihying2008 at gmail.com
Mon May 11 15:47:22 CEST 2009
GROMOS 45a3 force field
GROMOS 53a6 force field
Are they compatible?
I notice that MOST of the force field parameters sets are THE SAME in the
GROMOS 45a3 and GROMOS 53a6.
So, I want to ask if GROMOS 53a6 is rectification from GROMOS 45a3.
I mean if GROMOS 53a6 match more experimental data than GROMOS 45a3.
But, basically GROMOS 45a3 and GROMOS 53a6 are derived from THE SAME
METHOD and THE SAME EXPERIMENTAL DATA SETS ?
Thank you very much
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