[gmx-users] which version it is

[Thomas Piggot]

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.

Cheers

Tom

Justin Lemkul wrote:
> 
> 
> On 11/19/12 11:28 AM, Thomas Piggot wrote:
>> Hi,
>>
>> 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.
>>
> 
> There is indeed a CHARMM36 protein force field that is distinct from the 
> one included in CHARMM27 (which is, as you say, CHARMM22 + CMAP).
> 
> http://www.charmm.org/ubbthreads/ubbthreads.php?ubb=showflat&Number=30472
> 
> -Justin
> 

-- 
Dr Thomas Piggot
University of Southampton, UK.