<div>I just realized a damning typo...</div>
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<div>I do NOT mind creating a new drug file by hand... is what I meant to write</div>
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<div class="gmail_quote">On Thu, Jun 3, 2010 at 11:53 AM, Mark Zottola <span dir="ltr"><<a href="mailto:mzottola@gmail.com" target="_blank">mzottola@gmail.com</a>></span> wrote:<br>
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<div>I do mind creating a new drug by hand, but a search through the email list has been less than fruitful. I have done parameter/non-standard residue formation in AMBER, I believe I understand the process. Yet, there is no clear delineation of how one does charges. The best I found was the proper suggestion that CHELPG charges from a QM calculation should be employed. This is to be expected, but WHICH method should one use: hf/6-31g*, MNDO, something else?</div>
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