[gmx-users] Re: Tcoupl default setting
Mark.Abraham at anu.edu.au
Sat Apr 30 10:33:20 CEST 2011
On 4/30/2011 4:47 AM, Charlie Forde wrote:
> 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.
Sure. Next time, if you post your .mdp file, someone will likely spot
that for you...
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