Dear MMB Users,
In
release 2.11 the length units are Ångströms rather than nanometers,
consistent with molmodel’s conventions.
This makes it easier to relate various stiffnesses, energies, and other
physical quantities. I have created the rootMobilizer command, which for the
first time allows you to connect a chain to ground using a Weld mobilizer
(rather than the default Free) – this reduces the degrees of freedom of the
system and saves compute time, for the often-found situation in which one or
more chains are fixed to ground. There is also now a constrainChainRigidSegments command, which constrains
all rigid segments in a chain either to ground or to a specified residue in the
same chain (permitting center of mass motions). One application of this is to flexibilize an interface and allow
(or not allow) center of mass motions, e.g. to equilibrate clashes on that
interface.
I welcome comments on the release.
Happy modeling!