Dear Jeffrey,
> We are going to built a protein model in which one amino acid
> was modified to non-standard residue experimentally. After
> obtaining the prepin and frcmod files by ANTECHAMBER, what else
> should be done to make this resdiue correctly bond to the next and
> previous residues?
You can also use the R.E.D. Tools or R.E.D. Server to generate force
field libraries for non-standard residues. In this case, it is likely
you will have to generate _molecular fragments_. You will find many
examples in R.E.DD.B. & tutorials. All these tools are available .
http://q4md-forcefieldtools.org.
regards, Francois
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Received on Fri May 14 2010 - 00:30:05 PDT
