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To run addsol: 1:compile it "cc -o addsol addsol.c" 2: run "addsol yourfile.pdbq yourfile.pdbqs" addsol appends solvation parameters to the protein pdbq file starting in columns 76,addsol has hardwired parameters which could be changed only be changing addsol.cNB: The output of this program differs from that of addsol.f in the assignment of parameters to atom of the following types: CA HE2[2 or 1] GLN OXT CYS in the first case, the proper value is assigned by the c-code whereas it is notclear what value should be assigned for OXT (????) -rh, 1/8/98
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