[gmx-users] Prodrg

[Rodrigo Reston]

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. I don't know how to use the
.itp file. And I cannot generate a .top file using the
.pdb file because Gromacs does not recognize the "DRG"
residue!
So, I would very much like to know HOW to solve the
"DRG" residue problem and HOW I was supposed to use
the .itp file. Any other suggestions will be very much
appreciated too!
Thanks!
Rodrigo S. Reston, BSc.
UFMG, Brazil.


		
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