PME (particle mesh ewald) method

David S. Johnston david.s.johnston at vanderbilt.edu
Wed Aug 25 13:41:37 EST 1999


Hi,

I am an X-plor user interested in the particle mesh ewald method for
oligonucleotide refinement.  It is currently used by many researchres using
the AMBER 4.1 or 5.0 software.  Is there any current plans to incorporate
this into x-plor or is there something comparible for x-plor?  See
"Restrained moleuclar dynamics of solvated duplex DNA using the particle
mesh Ewald method" by Konerding et al., 1999, J. of Biomolecular NMR, vol.
13, 119-131. (Tom James' lab).

Thanks,

David S. Johston
Vanderbilt University





More information about the X-plor mailing list