quickest way to generate mm charges?

From NWChem

Viewed 251 times, With a total of 0 Posts
Jump to: navigation, search

Just Got Here
Threads 2
Posts 3
Hello,

I have a pdb file and just want nwchem to output each atom's x, y, z position with its partial charge according to the amber force field. What is the easiest way to obtain this?

Thanks


Forum >> NWChem's corner >> Running NWChem



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