[gmx-users] Is cholesterol model available in Charmm36 ff?

davhak davhak at gmail.com
Wed Mar 19 10:07:45 CET 2014

Thanks very much again for the updated charmm36 ff for Gromacs

Comparison of CHL1 residue records reveals only atom ordering difference for
the atoms from 2 to 4 inclusive. In your version these atoms are ordered as

Probably this order is somewhat outdated since in the December release of
the charmm36 the order has been changed to make the hydrogen atoms follow
the heavy atoms i.e.:

This kind of atom ordering difference is probably not a problem for Gromacs,
but probably to be compatible with charmm36 one may consider reordering of
these atoms?

Thanks a lot in advance for any comment.

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