Thank you Mark for your response,
In carrying out the test you recommended I realised that I had set the
integrator to sd, in such a case the tcoupl parameter is ignored. This explains
my well behave temperature in the absence of setting a tcoupl option. When I
wrote the input file originally (months ago) I must have known what I was doing
but then we live, we learn, we forget.
Regards
Charlie
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