[gmx-users] which version it is
t.piggot at soton.ac.uk
Mon Nov 19 17:48:27 CET 2012
I must have missed that one, thanks for the link!
So, to confirm, the protein force field in the CHARMM36 force field
contribution is the CHARMM22 protein force field with the CMAP
correction. The contribution is just for the updated CHARMM36 lipids.
Justin Lemkul wrote:
> On 11/19/12 11:28 AM, Thomas Piggot wrote:
>> As I understand it, the current and most up to date CHARMM protein
>> force field
>> (as included in both the charmm27 and charmm36 force field
>> directories) is the
>> CHARMM22 protein force field with the CMAP correction. In other words
>> would be no difference between the two options originally mentioned.
> There is indeed a CHARMM36 protein force field that is distinct from the
> one included in CHARMM27 (which is, as you say, CHARMM22 + CMAP).
Dr Thomas Piggot
University of Southampton, UK.
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