AMBER Archive (2006)

Subject: Re: AMBER: Not getting proper structure after minimization

From: Elijah Gregory (ejgregory_at_gmail.com)
Date: Tue Oct 24 2006 - 18:17:14 CDT

As far as parameter sets.... you should know that most forcefields out
there overemphasize alpha-helix structure.... it's trickier to
simulate alpha/beta structures. Look in the literature for *anything*
done with MD and your protein (or related homologues) for more hints
and tricks. MD is not easy, but nothing ever is =P

~Elijah
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