2 ; Atomic solvation parameters: i.e. free energy of solvation (kcal/mol) per
3 ; unit of solvent exposed area (A^2). The atomnames are really atomtypes!
5 ; Data from Eisenberg and McLachlan, Nature 319 (1986), 199-203
6 ; These numbers are for united atoms.
8 ; Read this only using the function get_dgsolv (include "atomprop.h")
13 ; In the original paper by Eisenberg and McLachlan, GLU and ASP sidechains
14 ; have one negative oxygen atom (OM) and normal (O). The OM is then selected
15 ; to be the most solvent accessible one. Since in a simulation
16 ; such sidechains will usually flip around anyway we average the constants
17 ; here, so OM' = (OM + O)/2
23 ; Right now the data from the ref below are *not* used!
24 ; Data are taken from Wang et al. J Phys Chem B 105 (2001) p 5055-5067
25 ; to be more precise this is from table 4, model 4