SEARCH
TOOLBOX
LANGUAGES
Forum Menu

charges embedding

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
  • Guest -
    Send PM
Dear all
Is it possible to embed a wavefunction in classical charges without making use of the qmmm directive, in order to avoid to prepare a topology file and to give a PDB geometry as input?
thank you in advance!


Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC