Quoting "David A. Case" <case.scripps.edu>:
> On Sat, Sep 29, 2007, Carlos Simmerling wrote:
>
>> how about
>> *Simulating a Solvated Protein that Contains Non-Standard Residues*
>> http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_four/
>
> You might also look at:
>
> http://amber.scripps.edu/antechamber/example.html
>
> There is an example there of preparing a non-standard residue. (But we need
> to make things simpler than they are now.)
You might look at:
http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php
-I.3.2.3- Single- or multi-conformation multi-orientation RESP fits
for the central fragment of new amino-acids
-I.3.2.4- Multi-molecule multi-conformation multi-orientation RESP
fits for terminal fragments of new amino-acids
regards, Francois
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Received on Wed Oct 03 2007 - 06:07:02 PDT
