Non-equilibrium MD
^^^^^^^^^^^^^^^^^^
-.. mdp:: acc-grps
-
- groups for constant acceleration (*e.g.* ``Protein Sol``) all atoms
- in groups Protein and Sol will experience constant acceleration as
- specified in the :mdp:`accelerate` line. (Deprecated)
-
-.. mdp:: accelerate
-
- (0) [nm ps\ :sup:`-2`]
- acceleration for :mdp:`acc-grps`; x, y and z for each group
- (*e.g.* ``0.1 0.0 0.0 -0.1 0.0 0.0`` means that first group has
- constant acceleration of 0.1 nm ps\ :sup:`-2` in X direction, second group
- the opposite). (Deprecated)
-
.. mdp:: freezegrps
Groups that are to be frozen (*i.e.* their X, Y, and/or Z position