<P>(<A HREF = "fix.html">fix</A> command) 

</P>

<UL><LI>  2d or 3d systems

<LI>  orthogonal or triclinic simulation domains

<LI>  orthogonal or non-orthogonal (triclinic symmetry) simulation domains

<LI>  constant NVE, NVT, NPT, NPH integrators

<LI>  thermostatting options for groups and geometric regions of atoms

<LI>  pressure control via Nose/Hoover barostatting in 1 to 3 dimensions

<LI>  simulation box deformation (tensile and shear)

<LI>  altered motion via velocity and force constraints

<LI>  harmonic (umbrella) constraint forces

<LI>  dragging of atoms to new positions

<LI>  independent or coupled rigid body integration

<LI>  SHAKE bond and angle constraints

<LI>  wall constraints of various kinds

<LI>  walls of various kinds

<LI>  targeted molecular dynamics (TMD) constraints

<LI>  non-equilibrium molecular dynamics (NEMD)

<LI>  gravity 

<LI>  variety of additional boundary conditions and constraints 

</UL>

<H4>Integrators: 

</H4>

<LI>  energy minimization via conjugate gradient relaxation

<LI>  rRESPA hierarchical timestepping

<LI>  parallel tempering (replica exchange)

<LI>  multiple independent simulations simultaneously 

<LI>  run multiple independent simulations simultaneously 

</UL>

<H4>Output: 

</H4>