[gmx-users] Alternative TRP residue
abelius at gmail.com
Thu Jun 11 17:09:41 CEST 2009
I have AmberFF parameters for a TRP excited state and I was wondering if
it was possible to create an alternative TRP residue for gromacs?
Things I've done so far:
* Download and install amber99 for gromacs
* Add a new residue [ ETRP ] with adapted charges to the amber99.rtp file
* Add ETRP to aminoacids.dat
My question is where do I go from here, how can I add distances (bond
lengths) and angles?
Thank you very much,
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