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

TJ Piggot t.piggot at bristol.ac.uk
Fri Jun 1 15:53:07 CEST 2007

Figured it out was just being a bit slow. I hadn't include an #ifdef 
_FF_AMBER statement in spce.itp or spc.itp

Thanks Erik and Mark


--On Friday, June 01, 2007 23:35:22 +1000 Mark Abraham 
<Mark.Abraham at anu.edu.au> wrote:

> 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?
> Mark
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TJ Piggot
t.piggot at bristol.ac.uk
University of Bristol, UK.

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