AMBER Archive (2009)

Subject: Re: [AMBER] non-natural amino acids

• Previous message: Cenk \(Jenk\) Andac: "Re: [AMBER] MM - PBSA problem"
• In reply to: Arturas Ziemys: "[AMBER] non-natural amino acids"
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Dear Arturas,

> Does anyone has link or reference toward parameters of
> alpha-carboxyl-glutamic amino acid and amino acid with naphtyl residue ?

I might be wrong, but my feeling is that you will have to generate
your own FF libraries with your own charge values... If you download
the R.E.D.-III.1 tools @ http://q4md-forcefieldtools.org/RED/, you
will find within the distribution a HowTo/Tutorial for the central &
N-terminal fragments of new amino acids with examples of R.E.D. input
files. This allows users generating quick results when one first gets
the R.E.D.-III.1 tools distribution. I hope this HowTo/Tutorial will
be complementary to the other tutorials at
http://q4md-forcefieldtools.org/Tutorial/.

regards, Francois

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• Previous message: Cenk \(Jenk\) Andac: "Re: [AMBER] MM - PBSA problem"
• In reply to: Arturas Ziemys: "[AMBER] non-natural amino acids"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]