
=>> Init data
    Presuming executables of amber suite to be in /usr/local/amber9/exe

=>> Reading input parameters
    Found PREFIX => 1svg
    Found PATH => ../snapshot/
    Found COMPLEX => 1
    Found RECEPTOR => 1
    Found LIGAND => 1
    Found COMPT => ../com.prmtop
    Found RECPT => ../rec.prmtop
    Found LIGPT => ../lig.prmtop
    Found GC => 0
    Found AS => 0
    Found DC => 0
    Found MM => 1
    Found GB => 1
    Found PB => 1
    Found MS => 1
    Found NM => 0
    Found PROC => 2
    Found REFE => 0
    Found INDI => 1.0
    Found EXDI => 80.0
    Found SCALE => 2
    Found LINIT => 1000
    Found PRBRAD => 1.4
    Found ISTRNG => 0.0
    Found RADIOPT => 0
    Found NPOPT => 1
    Found CAVITY_SURFTEN => 0.0072
    Found CAVITY_OFFSET => 0.00
    Found SURFTEN => 0.0072
    Found SURFOFF => 0.00
    Found DIELC => 1.0
    Found IGB => 2
    Found GBSA => 1
    Found SALTCON => 0.00
    Found EXTDIEL => 80.0
    Found INTDIEL => 1.0
    Found SURFTEN => 0.0072
    Found SURFOFF => 0.00
    Found PROBE => 0.0

=>> Checking sanity
    Checking GENERAL
    Checking MM
    Checking PB
    Checking GB
    Checking MS

=>> Creating input
    Sander input
    PBSA input

=>> Calculating energy / entropy contributions
    Calc contrib for ../snapshot/1svg_com.crd.1
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.2
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.3
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.4
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.5
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.6
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.7
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.8
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.9
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.10
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.11
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.12
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.13
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.14
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.15
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.16
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.17
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.18
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.19
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.20
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.21
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.22
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.23
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.24
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.25
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.26
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.27
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.28
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.29
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.30
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.31
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.32
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.33
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.34
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.35
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.36
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.37
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.38
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.39
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.40
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.41
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.42
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.43
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.44
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.45
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.46
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.47
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.48
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.49
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_com.crd.50
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.1
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.2
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.3
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.4
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.5
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.6
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.7
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.8
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.9
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.10
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.11
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.12
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.13
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.14
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.15
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.16
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.17
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.18
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.19
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.20
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.21
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.22
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.23
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.24
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.25
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.26
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.27
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.28
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.29
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.30
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.31
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.32
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.33
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.34
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.35
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.36
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.37
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.38
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.39
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.40
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.41
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.42
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.43
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.44
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.45
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.46
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.47
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.48
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.49
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_rec.crd.50
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.1
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.2
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.3
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.4
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.5
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.6
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.7
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.8
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.9
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.10
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.11
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.12
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.13
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.14
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.15
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.16
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.17
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.18
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.19
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.20
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.21
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.22
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.23
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.24
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.25
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.26
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.27
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.28
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.29
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.30
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.31
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.32
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.33
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.34
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.35
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.36
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.37
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.38
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.39
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.40
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.41
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.42
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.43
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.44
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.45
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.46
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.47
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.48
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.49
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS
    Calc contrib for ../snapshot/1svg_lig.crd.50
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Calc PBSA
        Generate PQR
        Calc MS

=>> Doing statistics
=>> Values of global variables
    TEMP   = 300
    R      = 8.314
    gammaP = 0.0072
    betaP  = 0.00
    gammaG = 0.0072
    betaG  = 0.00
=>> Reading input
=>> Reordering files
    Final order:
    1. 1svg_com.all.out: - 
    2. 1svg_rec.all.out: - 
    3. 1svg_lig.all.out: - 
=>> Reading files
    Reading 1svg_com.all.out
    WARNING: Missing PBCAV for PB in 26 -> Taken from 25
    WARNING: Missing PBDIS for PB in 26 -> Taken from 25
    WARNING: Missing SURF for MS in 26 -> Taken from 25
    Reading 1svg_rec.all.out
    Checking CALC
    WARNING: Missing PBCAV for PB in 45 -> Taken from 44
    WARNING: Missing PBDIS for PB in 45 -> Taken from 44
    WARNING: Missing SURF for MS in 45 -> Taken from 44
    Reading 1svg_lig.all.out
    Checking CALC
=>> Treat special parameters
=>> Calc missing parameters
    Processing MM GAS
        Doing 1 MM ELE
    No values for MM_ELE existing -> Skipping
    Processing MM INT
        Doing 1 MM BOND
        Doing 1 MM ANGLE
        Doing 1 MM DIHED
        Doing 1 MM BOND
        Doing 1 MM ANGLE
        Doing 1 MM DIHED
        Doing 1 MM BOND
        Doing 1 MM ANGLE
        Doing 1 MM DIHED
    Processing MM ELE
        Doing 1 MM ELENB
        Doing 1 MM ELE14
        Doing 1 MM ELENB
        Doing 1 MM ELE14
        Doing 1 MM ELENB
        Doing 1 MM ELE14
    Processing MM VDW
        Doing 1 MM VDWNB
        Doing 1 MM VDW14
        Doing 1 MM VDWNB
        Doing 1 MM VDW14
        Doing 1 MM VDWNB
        Doing 1 MM VDW14
    Processing GB GBTOT
        Doing 1 GB GBSOL
    No values for GB_GBSOL existing -> Skipping
    Processing GB GBELE
        Doing 1 GB GB
        Doing 1 MM ELE
        Doing 1 GB GB
        Doing 1 MM ELE
        Doing 1 GB GB
        Doing 1 MM ELE
    Processing GB GBSOL
        Doing 1 GB GB
        Doing 1 GB GBSUR
        Doing 1 GB GB
        Doing 1 GB GBSUR
        Doing 1 GB GB
        Doing 1 GB GBSUR
    Processing PB PBSOL
        Doing 1 PB PBCAL
        Doing 1 PB PBSUR
        Doing 1 PB PBDIS
        Doing 1 PB PBCAL
        Doing 1 PB PBSUR
        Doing 1 PB PBDIS
        Doing 1 PB PBCAL
        Doing 1 PB PBSUR
        Doing 1 PB PBDIS
    Processing PB PBELE
        Doing 1 PB PBCAL
        Doing 1 MM ELE
        Doing 1 PB PBCAL
        Doing 1 MM ELE
        Doing 1 PB PBCAL
        Doing 1 MM ELE
    Processing PB PBTOT
        Doing 1 PB PBSOL
        Doing 1 MM GAS
    No values for MM_GAS existing -> Skipping
    Processing MM GAS
        Doing 1 MM ELE
        Doing 1 MM VDW
        Doing 1 MM INT
        Doing 1 MM ELE
        Doing 1 MM VDW
        Doing 1 MM INT
        Doing 1 MM ELE
        Doing 1 MM VDW
        Doing 1 MM INT
    Processing GB GBTOT
        Doing 1 GB GBSOL
        Doing 1 MM GAS
        Doing 1 GB GBSOL
        Doing 1 MM GAS
        Doing 1 GB GBSOL
        Doing 1 MM GAS
    Processing PB PBTOT
        Doing 1 PB PBSOL
        Doing 1 MM GAS
        Doing 1 PB PBSOL
        Doing 1 MM GAS
        Doing 1 PB PBSOL
        Doing 1 MM GAS
=>> Calc delta from raw data
=>> Calc average and stddev
=>> Print output to 1svg_statistics.out
