[AMBER] Amoeba water model parameters

From: Kirill Nuzhdin <knuzhdin.nd.edu>
Date: Thu, 17 Jan 2013 11:25:01 -0500

Dear All,

is there any description for the amoeba parameters?

AMOEBA_FORCEFIELD
AMOEBA_ATOM_TYPE_INDEX
AMOEBA_ATOMIC_NUMBER
AMOEBA_ATOM_CLASS_INDEX
AMOEBA_REGULAR_BOND_NUM_LIST
AMOEBA_REGULAR_BOND_LIST
AMOEBA_REGULAR_BOND_NUM_PARAMS
AMOEBA_REGULAR_BOND_FORCE_CONSTANT
AMOEBA_REGULAR_BOND_EQUIL_VALUE
AMOEBA_REGULAR_BOND_FTAB_DEGREE
AMOEBA_REGULAR_BOND_FTAB_COEFFS
AMOEBA_UREY_BRADLEY_BOND_NUM_LIST
AMOEBA_UREY_BRADLEY_BOND_LIST
AMOEBA_UREY_BRADLEY_BOND_NUM_PARAMS
AMOEBA_UREY_BRADLEY_BOND_FORCE_CONSTANT
AMOEBA_UREY_BRADLEY_BOND_EQUIL_VALUE
AMOEBA_UREY_BRADLEY_BOND_FTAB_DEGREE
AMOEBA_UREY_BRADLEY_BOND_FTAB_COEFFS
AMOEBA_REGULAR_ANGLE_NUM_LIST
AMOEBA_REGULAR_ANGLE_LIST
AMOEBA_REGULAR_ANGLE_NUM_PARAMS
AMOEBA_REGULAR_ANGLE_FORCE_CONSTANT
AMOEBA_REGULAR_ANGLE_EQUIL_VALUE
AMOEBA_REGULAR_ANGLE_FTAB_DEGREE
AMOEBA_REGULAR_ANGLE_FTAB_COEFFS
AMOEBA_VDW_ATOM_TYPES_NUM_LIST
AMOEBA_VDW_ATOM_TYPES_LIST
AMOEBA_VDW_ATOM_PARENT_LIST
AMOEBA_VDW_PARENT_COORD_WEIGHT_LIST
AMOEBA_VDW_BUFFER_DELTA
AMOEBA_VDW_BUFFER_GAMMA
AMOEBA_VDW_PARAMS_NUM_LIST
AMOEBA_VDW_MIXED_RADII_LIST
AMOEBA_VDW_MIXED_EPSILONS_LIST
AMOEBA_LOCAL_FRAME_MULTIPOLES_NUM_LIST
AMOEBA_LOCAL_FRAME_MULTIPOLES_LIST
AMOEBA_FRAME_DEF_NUM_LIST
AMOEBA_FRAME_DEF_LIST
AMOEBA_ADJUST_NUM_LIST
AMOEBA_ADJUST_LIST
AMOEBA_ADJUST_VDW_WEIGHTS_LIST
AMOEBA_ADJUST_MPOLE_WEIGHTS_LIST
AMOEBA_ADJUST_DIRECT_WEIGHTS_LIST
AMOEBA_ADJUST_POLAR_WEIGHTS_LIST
AMOEBA_ADJUST_MUTUAL_WEIGHTS_LIST
AMOEBA_POLARIZABILITY_NUM_LIST
AMOEBA_POLARIZABILITY_LIST


Thank you!

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Received on Thu Jan 17 2013 - 08:30:03 PST
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