Re: [gmx-users] Re: Tcoupl default setting

2011-04-30 Thread Mark Abraham
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 opt

[gmx-users] Re: Tcoupl default setting

2011-04-29 Thread Charlie Forde
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 original