5. MM2 Energy in kcal/mol

Moderators: Chem_Mod, Chem_Admin

powerberry
Posts: 108
Joined: Fri Sep 20, 2013 3:00 am

5. MM2 Energy in kcal/mol

Postby powerberry » Fri Mar 07, 2014 2:29 pm

When I minimize the structure for the first time I get 2.1746 kcal/mol, but if I continue to minimize, it goes to 2.1733. Should I use 2.173, 2.174, 2.175 for this answer?

irisc23
Posts: 237
Joined: Sat Nov 23, 2013 3:00 am

Re: 5. MM2 Energy in kcal/mol

Postby irisc23 » Fri Mar 07, 2014 5:55 pm

It doesn't really matter, I was told by the TAs that a range of answers would be accepted as the energy minimization comes out different for everyone. So as long as it's not too far off, you can just go with it.


Return to “*Chem3D”

Who is online

Users browsing this forum: No registered users and 2 guests