AMBER Archive (2002)

Subject: how to keep aromatic ring flat

From: Qing Zhang (qingzhang_nyu_at_yahoo.com)
Date: Fri Jun 14 2002 - 18:00:51 CDT

Dear Amber users:

A six-membered aromatic carbon ring is clearly
distorted somehow after I run a few hundred steps of
minimization with sander. But this ring should be
almost flat in chemistry. I already use "improper" on
each sp2 carbon in its Prep file.

Does anyone know how to keep the aromatic ring flat
during minimization or dynamics?

Thanks a lot,

Qing

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