Quoting Robert Fenwick [EMAIL PROTECTED]:
Dear all,
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
ffG43a1.rtp?
I don't think you can make a structure from just an .rtp entry, but you could
always draw the molecule with PRODRG to get the structure file, and then make
adjust the atom names such that are the same as those in the .rtp, and proceed
from there.
-Justin
Cheers,
Bryn
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
[EMAIL PROTECTED] | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/
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