vdW parameter unit for NWCHEM

From NWChem

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

Click here for full thread
Just Got Here
Threads 2
Posts 2
Hi,

In the parameter format file of the online manual, I noticed that the vdW interactions is in unit of kcal/mol. However, I check the amber parameter files in NWCHEM package, the unit should be in kj/mol. So, which one is correct?
Thank you.

Roy


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