File: testdata.prm.save

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cpptraj 5.1.0%2Bdfsg-4
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* CHARMM parameters stream file generated by cpptraj.
*

read param card flex append
* Parameters written from cpptraj.
*

ATOMS
MASS  -1  NH1       14.00700
MASS  -1  H          1.00800
MASS  -1  CT1       12.01100
MASS  -1  HB1        1.00800
MASS  -1  CT2       12.01100
MASS  -1  HA2        1.00800
MASS  -1  HA         1.00800
MASS  -1  NECA      14.00700
MASS  -1  CC        12.01100
MASS  -1  OC        15.99900
MASS  -1  C         12.01100
MASS  -1  O         15.99900

BONDS
CT2      CT1       222.500     1.5380
CT2      CT2       222.500     1.5300
NECA     CT2       380.000     1.4300
NH1      CT1       320.000     1.4300
C        CT1       250.000     1.4900
O        C         620.000     1.2300
NECA     CC        320.000     1.4617
CC       OC        525.000     1.2600
NH1      H         440.000     0.9970
CT1      HB1       330.000     1.0800
CT2      HA2       309.000     1.1110
CT2      HA        309.000     1.1110
NECA     H         440.000     1.0280

ANGLES
NH1      CT1      CT2        70.000     1.9809
NH1      CT1      C          50.000     1.8675
CT2      CT1      C          52.000     1.8850
CT1      CT2      CT2        58.350     1.9809
CT2      CT2      CT2        58.350     1.9827
CT2      CT2      NECA       67.700     1.9361
CT1      C        O          80.000     2.1118
CT2      NECA     CC         50.000     2.0071
NECA     CC       OC         80.000     1.9199
OC       CC       OC          0.000     0.0000
H        NH1      CT1        35.000     2.0420
NH1      CT1      HB1        48.000     1.8850
HB1      CT1      CT2        35.000     1.9373
HB1      CT1      C          50.000     1.9111
CT1      CT2      HA2        26.500     1.9216
HA2      CT2      HA2        35.500     1.9024
HA2      CT2      CT2        26.500     1.9216
CT2      CT2      HA         26.500     1.9216
HA       CT2      HA         35.500     1.9024
HA       CT2      NECA       51.500     1.8762
CT2      NECA     H          60.000     1.9199
H        NECA     CC         60.000     1.9199

DIHEDRALS
NH1      CT1      CT2      CT2          0.8800  1   180.00
NH1      CT1      CT2      CT2          0.0000  2   180.00
NH1      CT1      CT2      CT2          1.9000  3     0.00
NH1      CT1      C        O            0.0000  1     0.00
CT1      CT2      CT2      CT2          0.6300  1   180.00
CT1      CT2      CT2      CT2          0.0100  2     0.00
CT1      CT2      CT2      CT2          0.1500  3     0.00
CT2      CT1      C        O            1.4000  1     0.00
CT2      CT2      CT2      CT2          0.1000  2   180.00
CT2      CT2      CT2      CT2          0.1500  4     0.00
CT2      CT2      CT2      CT2          0.1000  6   180.00
CT2      CT2      CT1      C            0.3500  1   180.00
CT2      CT2      CT1      C            0.4200  2   180.00
CT2      CT2      CT1      C            1.9100  3   180.00
CT2      CT2      CT2      NECA         0.1900  3     0.00
CT2      CT2      NECA     CC           1.1000  1   180.00
CT2      CT2      NECA     CC           0.2000  3     0.00
CT2      NECA     CC       OC           2.2000  2   180.00
NH1      CT1      CT2      HA2          0.2000  3     0.00
H        NH1      CT1      HB1          0.0000  1     0.00
H        NH1      CT1      CT2          0.0000  1     0.00
H        NH1      CT1      C            0.0000  1     0.00
CT1      CT2      CT2      HA2          0.1900  3     0.00
HB1      CT1      CT2      HA2          0.2000  3     0.00
HB1      CT1      CT2      CT2          0.2000  3     0.00
HB1      CT1      C        O            0.0000  1     0.00
CT2      CT2      CT2      HA2          0.1900  3     0.00
HA2      CT2      CT1      C            0.2000  3     0.00
HA2      CT2      CT2      HA2          0.1900  3     0.00
CT2      CT2      CT2      HA           0.1900  3     0.00
CT2      CT2      NECA     H            0.2000  3     0.00
HA2      CT2      CT2      HA           0.1900  3     0.00
HA2      CT2      CT2      NECA         0.1900  3     0.00
HA       CT2      NECA     H            0.0000  1     0.00
HA       CT2      NECA     CC           0.0000  1     0.00
H        NECA     CC       OC           1.9250  2   180.00

END