CCL: MOPAC/PM6 and MD



 Sent to CCL by: "Jim Kress" [ccl_nospam]=[kressworks.com]
 Did you look at CP2K, CPMD or Quantum-expresso?  How about gromacs or
 Charmm?
 Jim
 > -----Original Message-----
 > From: owner-chemistry+ccl_nospam==kressworks.com . ccl.net
 > [mailto:owner-chemistry+ccl_nospam==kressworks.com . ccl.net]
 > On Behalf Of Stephen.Garrison_._srnl.doe.gov
 > Sent: Monday, January 05, 2009 8:23 AM
 > To: Kress, Jim
 > Subject: CCL: MOPAC/PM6 and MD
 >
 >
 > Are there any molecular dynamics codes that interface with
 > MOPAC (2007 or 2009) to do MD simulations using the PM6 method?
 >
 > --
 > Stephen L. Garrison, Ph.D.
 > Senior Engineer
 > Engineering Modeling and Simulation
 > Savannah River National Laboratory
 > Savannah River Site
 > 773-42A, Room 181
 > Aiken, SC 29808
 > 803-725-2404
 > Stephen.Garrison{:}SRNL.doe.gov
 >
 >