[gmx-users] Re: Gromacs 54a7 force field

Rajat Desikan rajatdesikan at gmail.com
Wed Jul 18 23:51:38 CEST 2012


"54A7 also introduced changes to the Gromos96 lipid parameters"
How will this change my inclusion of the berger lipid parameters? Any thing
that I should pay special attention to? Are there other lipid parameters
more compatible?
I heard from a faculty member at our Institute that the 53a6 is a bad ff for
a protein with a lot of alpha helices for longer simulations. She apparently
saw the helices unravel when they were supposed to be stable.

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