[gmx-users] GTP topology file for ffG43a1
rbf22 at mole.bio.cam.ac.uk
Fri Nov 30 18:56:28 CET 2007
I have now prepared what I think are the necessary lines for entry
into the ffG43a1.rtp file for GTP, however I was wanting a quick way
to test what I have done. Again I am open to suggestions.
Specifically I want to ensure that I have added sufficient bonds and
angles for the molecule and that I have not defined any of the
parameters more than once. I am quite happy to send on my files, if
someone would like to help, basically my approach has been to
cannibalise the ATP, AED and GUA files.
Is there a simple way to produce a .gro or .pdb file from my altered
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