Reading parm file (prmtop) title: title goes here old prmtop format => using old algorithm for GB parms mm_options: cut=999. mm_options: ntpr=10 mm_options: nsnb=100 mm_options: diel=R freezing 221 atoms using expression ::*[PT'],H5'* for moving atoms iter Total bad vdW elect. cons. genBorn frms ff: 0 1536.20 1156.50 375.61 4.10 0.00 0.00 5.97e+01 ff: 10 807.74 802.28 9.63 -4.17 0.00 0.00 7.00e+00