Dear Madhu,
> I am searching for the ways to generate parameters for PLP
> (Pyridoxol-5'-phosphate) and L-Histidinol Phosphate.
You might be interested in using services at q4md-forcefieldtools.org.
Among these you can download the R.E.D. tools at
http://q4md-forcefieldtools.org/RED/ or use R.E.D. Server at
http://q4md-forcefieldtools.org/REDS/. See tutorials there as well...
Concerning Phosphate derivatives you could use the building block
approach and split these molecules into two elementary building
blocks; this allows better controlling the conformation of each
building block. this takes a particular importance for charged
molecules.
See examples of phosphate derivatives in R.E.DD.B.:
http://q4md-forcefieldtools.org/REDDB/projects/F-90/
regards, Francois
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Received on Wed Aug 21 2013 - 04:00:02 PDT
