A molecular dynamics program to simulate solvated biomolecules
ORAC is a program for running classical simulations of biomolecules. Simulations can be carried out in the NVE, NPT, NHP, and NVT thermodynamic ensembles. The integration of the equations of motion in any ensemble can be carried out with the r-RESPA multiple time step integrator (Tuckermann et al., JCP 97 1990-2001 (1992)) and electrostatic interactions can be handled with the Smooth Particle Mesh Ewald method (T. Darden and coworkers JCP 98 10089 (1993) and JPC 101 8577 (1995)).
The ORAC program has been written and is mantained by Massimo Marchi (CEA Saclay, Paris FR) and Piero Procacci (Dep. of Chemistry, Florence University I). For more information, click here.
This is the Win32 porting of the original Orac 4.0 package. Intel Pentium 4 and AMD Athlon/Duron program versions are included.
ORAC 4 for Windows