_*1_*.INTRODUCTION
_*1_*._*7_*.DIRECTORIES
_*2_*._*3_*.SCRIPT FILES
_*2_*._*4_*.EXAMPLES
_*4_ .FILES
_*4_*._*1_*. FILE NAMING
_*4_*._*2_*. FILE FORMATS
_*4_*._*2_*._*1_*. FILE.pdb:
_*4_*._*2_*._*2_*. FILE.prm:
_*4_*._*2_*._*3_*. FILE.siz:
_*4_*._*2_*._*4_*. FILE.crg:
_*4_*._*2_*._*5_*. FILE.frc:
_*4_*._*2_*._*6_*. CONTOUR.KT:
_*4_*._*2_*._*7_*. FILE.phi:
_*4_*._*2_*._*8_*. FILE.eps:
_*5_*. PROGRAMS
QDIFF/QDIFFX
CONTOUR2D
GCSHP.A
PHITOINS
PHITOMBK
PHITOPDB
ASCIIPHI
MBKBIN
NMPTCH
LOOKEPS
REFORM
_*6_*. PROGRAM QDIFF
_*6_*._*1_*. BRIEF DESCRIPTION
_*6_*._*2_*. ALGORITHM
_*6_*._*3_*. INPUT FILES
_*6_*._*4_*. OUTPUT FILES
_*6_*._*5_*. INPUT FORMAT
_*6_*._*5_*._*1_*. UNIT 10
_*6_*._*5_*._*2_*. UNIT 11
_*6_*._*5_*._*3_*. UNIT 12
_*6_*._*5_*._*4_*. UNIT 13
_*6_*._*5_*._*5_*. UNIT 15
_*6_*._*5_*._*6_*. UNIT 18
_*6_*._*6_*. OUTPUT FORMATS
_*6_*._*6_*._*1_*. UNIT 6
_*6_*._*6_*._*2_*. UNIT 14
_*6_*._*6_*._*3_*. UNIT 16
_*6_*._*6_*._*4_*. UNIT 17
_*6_*._*6_*._*5_*. UNIT 19
_*6_*._*7_*. OVERALL PROGRAM FLOW:
_*6_*._*8_*. NOTES ON INPUT PARAMETERS
_*6_*._*8_*._*1_*. IGRID
_*6_*._*8_*._*2_*. PERFIL
_*6_*._*8_*._*3_*. OFFSET
_*6_*._*8_*._*4_*. EPSIN, EPSOUT
_*6_*._*8_*._*5_*. IBCTYP
_*6_*._*8_*._*6_*. IPER
_*6_*._*8_*._*7_*. NLIT
_*6_*._*8_*._*8_*. ISPH
_*7_*. PROGRAM QDIFFX
_*7_*._*1_*. BRIEF DESCRIPTION
_*7_*._*2_*. UNFORMATTED VERSIONS OF INPUT FILES for QDIFFX
_*7_*._*3_*. UNFORMATTED OUTPUT FILES for QDIFFX
_*7_*._*4_*. FORM OF UNFORMATTED OUTPUT FILES
_*7_*._*5_*. INPUT PARAMETER FILE FORMAT
_*7_*._*5_*._*1_*. EXAMPLE OF PARAMETER FILE USE
_*7_*._*5_*._*2_*. EXAMPLE PARAMETER FILE
_*8_*. PROGRAM QDIFFXS
_*8_*._*1_*. BRIEF DESCRIPTION
_*9_*. WORKED EXAMPLES
_*9_*._*1_*. THE POTENTIAL AROUND CU,ZN SUPEROXIDE DISMUTASE
_*9_*._*2_*. TEST CHARGES IN A SPHERE- Comparison with analytical solutions
_*9_*._*3_*. SOLVATION ENERGY OF THE ACETATE ION
_*9_*._*4_*. PK SHIFTS IN SUBTILISIN
_*9_*._*5_*. ELECTROSTATIC POTENTIALS AND ION CONCENTRATIONS AROUND B-DNA
_*9_*._*6_*. INTRINSIC PK CALCULATION IN TRYPSIN
_*9_*._*7_*. PACKING ENERGIES FOR HEMERYTHRIN HELICES