[gmx-users] QM calculation

[parto haghighi]

Dear Justin,
Thank you for your response.
I have already read your paper and I have tried semi empirical methods (
Antechamber) and QM from Spartan 10 and I can reach results which have
consistence with your paper.
But about large molecule like Lidocaine or Articaine I have some problems.
You said "QM calculations are the starting point, not the end" but becase
my field is Chemical enginnering I do not have basic information of QM to
continue my work.
So if it is possible for you please suggest me a book or any reference
which can help me and introduce me methods of elementary quantum mechanics
calculation. It will be really your kind.

Thanks a lot in advance.
Parto Haghighi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111202/e59d4f72/attachment.html>