An update of the CHARMM36 force field (toppar_c36_aug14.tgz is now available on http://mackerell.umaryland.edu/charmm_ff.shtml. Note that there have been NO changes to the biomolecular FF, only minor corrections and additions as described below.

Also, the polarizable Drude2013 force field is now available on http://mackerell.umaryland.edu/charmm_ff.shtml. It is also available on the CHARMM-Gui; see the Drude Prepper module.

alex


1) Minor bug fixes

2) CHARMM36 FFs in Gromacs format ( http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs )

3) Addition of various water models in non_charmm subdirectory

4) stream files moved to subdirectories ( toppar/stream/*/*.str )

5) Addition of a collection of lipids and glycolipids in the stream/lipid subdirectory

6) Addition of glycoprotein linkages in stream/prot subdirectory

7) Release of polarizable classical Drude-2013 oscililator model for proteins, DNA,
DPPC lipids and carbohydrates (polyols and hexapyranoses).

8) Patches for ionized cysteine and serine added to protein parent files

9) Addition of posttranslation patches in stream/prot subdirectory


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