AMBER Archive (2004)

Subject: Re: AMBER: dummy atom other than H

From: Carsten Detering (detering_at_u.washington.edu)
Date: Wed May 12 2004 - 16:18:23 CDT

David,

Thanks for your answer.

>The five membered ring would have a CH group that would need to be mutated
> somehow, not just a C, and I am not quite sure what you mean by "the atom
> next to it" (is this the nitrogen, or is it a carbon in the 6-member
ring?)

THe group to be mutatet is indeed a CH2 group, and the two hydrogens of that
group are going to be mutated to dummy atoms. By "the atom next to it", I
meant the C-atom in the six-membered ring. Sorry about the confusion.

Thanks for your help.

CArsten

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