force parameter format

From NWChem

Viewed 1899 times, With a total of 1 Posts
Jump to: navigation, search

  • Guest -
    Send PM
Hi,

For vdW interaction parameters in NWCHEM parameter file, what does it mean by " Use Q flag to restrict VDW parameters to QM atoms only"?
Thanks

Roy

  • Guest -
    Send PM
This should allow to define different vdw parameters for quantum atom without affecting the same atom types which are treated classically


Forum >> NWChem's corner >> QMMM



Who's here now Members 0 Guests 1 Bots/Crawler 0


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