[gmx-users] protein-DNA simulation with Amber port

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jun 1 15:35:22 CEST 2007

TJ Piggot wrote:
> Hi
> I have just checked again by trying to set up a run again using spc/e 
> with amber03. I still get this same error. I am sure the order in the [ 
> molecules ] section is correct, and it is the same order as in the .top 
> file with tip3p or tip4p which both work fine. The only difference 
> between the setup's is the -water option given to pdb2gmx and the -cs 
> option in genbox

How do the contents of the water .itp files differ?


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