Dear gromacs user:
In the online manul it says "the frequency for writing dH/dlambda and possibly
Delta H to dhdl.xvg, 0 means no ouput, should be a multiple of nstcalcenergy".
But in the tutorial of free energy circulation of methane it use "nstdhdl
= 10" and nstcalcenergy is used default, while the default
nstcalcenergy is 100. I am little confused why in here the nstdhdl is not a
multiple of nstcalcenergy. Can anyone help, thanks a lot.
Best regard,
Haiping zhang
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