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.
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
