COSMO-SMD Initialization (regarding solvent accessible surface area)

From NWChem

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

Click here for full thread
Forum Regular
Threads 57
Posts 278
If only the patch for mac is applied, the results are...
                      

        internal energy in solvent ... =      -248.3034894307
Edited On 9:10:52 PM PDT - Tue, Jun 20th 2017 by Xiongyan21


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