[gmx-users] which version it is

Thomas Piggot t.piggot at soton.ac.uk
Mon Nov 19 17:28:28 CET 2012


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 there would be no difference between the two 
options originally mentioned.



ABEL Stephane 175950 wrote:
> Hi, 
> Probably the "CHARMM27_protein+Charmm36_lipids" version. AFAIK, the second version was not already converted in GROMACS format. 
> Stephane
> ---------------------------------------------------
> hello:
>   I found a charmm36.tar.gz in Gromacs website
>   GROMACS 4.5.4 version of the CHARMM36 force field files. These updated 
> CHARMM lipids allow the all-atom simulations of membrane and 
> membrane-protein systems without the use of surface tension. Check out 
> the forcefield.doc for more information regarding these files
>      71.65 kB    15:42, 25 Sep 2012    TomPiggot
> I am just wondering, is the the one with 
> CHARMM27_protein+Charmm36_lipids or it is CHARMM36_protein+CHARMM36_lipids?
> thank you very much
> best
> Albert

Dr Thomas Piggot
University of Southampton, UK.

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