[gmx-users] genbox problems

Chris Shaw chrisbiochem at yahoo.co.uk
Sun Aug 18 14:33:36 CEST 2002

Hi all, 

Just a quick question. I am getting a feel of gromacs by playing around with helices in different solvents. My problem is that genbox re-writes the .gro file to represent the addition of solvent molecules, but doesn't re-write the .top file to reflect the changes. When I attempt to add the .itp file for example dmso.itp into the top file with the #include command it doesn't seem to register and i get an error back re not being able to define SD atom types. Could any one help, as I am sure that i am doing something fundamentally wrong.

Many thanks in advance 


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