CCL: MOPAC/PM6 and MD
- From: "Jim Kress"
<ccl_nospam*|*kressworks.com>
- Subject: CCL: MOPAC/PM6 and MD
- Date: Mon, 5 Jan 2009 09:36:31 -0500
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
>
>