[gmx-users] Prodrg

Rodrigo Reston rodrigoreston at yahoo.com.br
Fri Oct 14 21:32:59 CEST 2005

Just expanding my previous e-mail:
Hi. I used Prodrg server to create the coordinates
and topology for a molecule. None of the .top files
available at the server, after I make the run,
work. [ I cannot create a .top using x2top because
there's a problem in the .gro file - it always
complains about the FF not having the type for some
atom in the structure that's forming illegal bonds -
even if I change the molecule just a bit. I have no
idea what to do with the .itp file. ] And I cannot
generate a .top file using the .pdb file through
pdb2gmx because Gromacs does not recognize the "DRG"
I sorry, I thought I could be more specific but I

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