Dear AMBER users,
Now, i have a couple of questions:
1-Is the electronic and/or mechanical embedding is chosen by default when AMBER is interfaced with an external QM program, i'm not aware with a keyword to set this option explicitly.?
2-I tried to print the charges from the QM region using the option (printcharges=1) in the qm/mm namelist, it's not printed in the AMBER output, it prints zeros instead, it's got printed in the ORCA output when i set the required option in the ORCA section.
Regards
Marawan
I figured out the problem in the previous post, sorry for confusion.
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Received on Thu Nov 15 2012 - 00:00:03 PST
