Hi, I have been tracking the code for implicit solvent, i.e. src/mdlib/genborn.c According to the gromacs paper on implicit solvent, J Comp Chem 31:2593, 2010, the GB force is tabulated in the X = Rij Ci Cj dimension. However, the tabulated function, which I think is stored in fr->gbtab, is only used in the function gb_bonds_tab(). I could not find the function of X applied in the calc_gb_chainrule() function. Does the gbtab applied on dvda and dadx elsewhere? Thanks in advance!
regards, Chi-cheng
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