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(2011), 40, 843-856, DOI: 10.1007/s00249-011-0700-9) 16: OPLS-AA/L all-atom force field (2001 aminoacid dihedrals) 1 Using the Charmm36 force field in directory ./charmm36.ff Opening force field file ./charmm36.ff/watermodels.dat Select the Water Model: 1: TIP3P TIP 3-point, recommended, by default uses CHARMM TIP3 with LJ on H 2: TIP4P TIP 4-point 3: TIP5P TIP 5-point 4: SPC simple point charge 5: SPC/E extended simple point charge 6: None 1 going to rename ./charmm36.ff/merged.r2b Opening force field file ./charmm36.ff/merged.r2b Reading full_gmx.pdb Read , 89 atoms Analyzing pdb file Splitting chemical chains based on TER records or chain id changing