[gmx-users] GTP topology file for ffG43a1

[Robert Fenwick]

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?


Cheers,



Bryn