MeshErrorLargerThanRecommend

Warning: mesh error is (real value1) kcal/mol and is larger than the recommended value of (real value2) kcal/mol

As noted in section (4) of Quick Start Guide ---- Running slvfe: Getting Final Output, the solvation free energy is calculated from distribution functions constructed over a set of finite energy meshes.
The difference column in section (4) shows the mesh error, which is expressed by setting the free energy value at group = 3 as the reference and showing the difference of the free energy value at each group from the reference.

In the default setting, (real value1) within the above warning message is the largest one among the difference values in group = 1-- 5, and (real value2) is set to 0.1 kcal/mol.
The warning appears when (real value1) is larger than (real value2).
For the mesh error, the smaller is the better.
0.1 kcal/mol is adopted as the default for the threshold value of (real value2), given the typical performance of force field and the experimental necessity.
Actually, the threshold value depends on the purpose, i.e., what precision user wants.

To change (real value2), user opens the parameters_fe file and modifies the mesherr parameter.
To determine (real value1), as noted above for the default setting, the free energy value at group = 3 is adopted as the reference and the difference of the free energy value from the value at group = 3 is examined over group = 1-- 5.
This setting can be also modified in the parameters_fe file.
The group value used as the reference can be specified with the pickgr parameter.
The range of group values used to determine (real value1) can be changed by setting the parameters msemin and msemax; msemin is the smallest group examined and msemax is the largest one.

When the pickgr parameter is specified in the parameters_fe file, the free energy values with group = pickgr are used to show the final result in section (6) of Quick Start Guide ---- Running slvfe: Getting Final Output.

The parameters contained in the parameters_fe file are described in Parameter files for slvfe.