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DROP TABLE IF EXISTS Tp1;
CREATE TEMPORARY TABLE Tp1 (
Frame int(10) unsigned default NULL,
Pbsur decimal(10,3) default NULL,
Pbcal decimal(10,3) default NULL);
DROP TABLE IF EXISTS Tp2;
CREATE TEMPORARY TABLE Tp2 (
Frame int(10) unsigned default NULL,
Ele decimal(10,3) default NULL,
Vdw decimal(10,3) default NULL,
Bad decimal(10,3) default NULL);
INSERT INTO Tp1
SELECT MM_PBSA_PB.Frame, MM_PBSA_PB.Pbsur, MM_PBSA_PB.Pbcal
FROM MM_PBSA_PB, ParamPB, Molecule, Trajectory, prmtop
WHERE MM_PBSA_PB.idParamPB = ParamPB.idParamPB
AND ParamPB.idMolecule = Molecule.idMolecule
AND Molecule.Name = "whole"
AND ParamPB.idTraj = Trajectory.idTraj
AND Trajectory.Name = "nscm"
AND ParamPB.idPrmtop = prmtop.idPrmtop
AND prmtop.Name = "mbondi";
INSERT INTO Tp2
SELECT MM_PBSA_GAS.Frame, MM_PBSA_GAS.Ele, MM_PBSA_GAS.Vdw, MM_PBSA_GAS.Bad
FROM MM_PBSA_GAS, ParamPhGas, Molecule, Trajectory
WHERE MM_PBSA_GAS.idParamPhGas = ParamPhGas.idParamPhGas
AND ParamPhGas.idMolecule = Molecule.idMolecule
AND Molecule.Name = "whole"
AND ParamPhGas.idTraj = Trajectory.idTraj
AND Trajectory.Name = "nscm";
SELECT Tp2.Ele, Tp1.Pbsur
FROM Tp1, Tp2
WHERE Tp1.Frame = Tp2.Frame
ORDER BY Tp1.Frame ASC; |
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