Hi,
With regards to the versions you are correct, ffamber_v3.3.1 is for use
with Gromacs 3.3.1. As for the error i would suggest you do what Mark says
and make sure all your inclusions are correct. If you still can't find the
problem then you need to post some of your .top file so we can have a look
at it
Tom
--On 08 May 2007 10:53 +1000 Mark Abraham <[EMAIL PROTECTED]> wrote:
root wrote:
Dear GROMACS user:
Erik and Tom thanks by the comments, too. Sorry, I read the FAQ pages of
http://folding.stanford.edu and now I understand your comments.
We tried with cpp = /lib/cpp -traditional in the mdp file. The warning
desapears, but the error messages is similar.
(Fatal error:
Atoms in the .top are not numbered consecutively from 1
-------------------------------------------------------
We tested the dick.top file, and we verified that the atoms
are numbered
consecutively from 1 to 758.)
Have you inspected the #included files as well? The way cpp works, any
file #included is literally dropped into its parent file, so if you had
something wrong in such an #inclusion you'd need to fix that.
Mark
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----------------------
TJ Piggot
[EMAIL PROTECTED]
University of Bristol, UK.
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