QMMM without MM - ab initio MD

From NWChem

Viewed 692 times, With a total of 0 Posts
Jump to: navigation, search

Clicked A Few Times
Threads 5
Posts 5
Hi,

I was wondering if it was possible to run ab initio dynamics using the qmmm package? Is it possible to simply use QM without a force field, so just use QM to generate the forces? I'm not too familiar with the QMMM package so any help would be appreciated.

Thanks


Forum >> NWChem's corner >> QMMM



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


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