remarks file toppar/electrostatics.settings remarks remarks force field parameter settings for inclusion of remarks electrostatics in refinement. To be used in remarks conjunction with the protein-allhdg5-4.* and dna-rna-allatom-hj.* remarks parameter and topology files. remarks remarks Reference: remarks J.P. Linge, M.A. Williams, C.A.E.M. Spronk, A.M.J.J. Bonvin, M. Nilges, remarks Refinement of protein structures in explicit solvent. Proteins 50, 496-506, 2003. ! include both electrostatics and van der Waals energy ! terms, including the periodic and symmetry terms flags include elec pele vdw pvdw ? end ! ! nonbonded parameter settings parameter nbonds nbxmod=5 atom cdie shift cutnb=9.5 ctofnb=8.5 ctonnb=6.5 eps=1.0 e14fac=0.4 inhibit 0.25 wmin=0.5 tolerance 0.5 end end