1. Update to gromacs 4.0.5
2. Your file K.Itp contains repeated instructions
that it should not and therefore the error message.
Build one new from the ions.itp.
I am surprised gromos dos not have K+ ion!
On Jul 6, 2009, at 23:52, sadhna joshi <[email protected]> wrote:
hi,
I am using gromacs 3.3.1 and ions.itp does not have K ion (in
gromos96). I tried to include it by making K.itp and including in
topology file.
I get the following error..
Invalid order for directive atoms, file ""K.itp"", line 1
I am not sure where I am wrong,,,
thanks
sadhna
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