[gmx-users] Re: REMD ... again a problem with analysis (on the fly)

[Luca Mollica]

Hi,

the temperature distribution for my system is the following:

250.0 254.0 258.3 263.0 267.9 273.2 278.8 284.7 291.0 297.5 304.4 311.6 
319.1 327.0 335.1 343.6 352.4 361.5 371.0 380.7 390.8 401.2 411.9 423.0 
434.3 446.0

But I would like to point out a thing about my simulation that could help 
to find a solution to my problems: my system contains 17.000 (more or 
less) water molecule: could this fact influence in any way  the proper 
work of REMD ?? I am trying to set up a simulation with a denser replica 
space and a less temperature difference: also the closest replica have a 
difference of about 20 kJmol-1 .....

L

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