[gmx-users] Re: Tcoupl default setting

Charlie Forde charlie.forde at hotmail.com
Fri Apr 29 20:47:16 CEST 2011

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.


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