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leelasd/BNZ.rtf

Created April 21, 2017 18:42
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for NAMD protein-ligand simulation
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BNZ.rtf
! LigParGen generated RFT file for NAMD/CHARMM
MASS 1 C800 12.0110 C
MASS 2 C801 12.0110 C
MASS 3 C802 12.0110 C
MASS 4 H803 1.0080 H
MASS 5 C804 12.0110 C
MASS 6 H805 1.0080 H
MASS 7 C806 12.0110 C
MASS 8 H807 1.0080 H
MASS 9 C808 12.0110 C
MASS 10 H809 1.0080 H
MASS 11 H810 1.0080 H
MASS 12 H811 1.0080 H
AUTO ANGLES DIHE
RESI BNZ 0.000
ATOM C00 C800 -0.135
ATOM C01 C801 -0.1394
ATOM C02 C802 -0.135
ATOM H03 H803 0.1388
ATOM C04 C804 -0.1356
ATOM H05 H805 0.1326
ATOM C06 C806 -0.1348
ATOM H07 H807 0.1385
ATOM C08 C808 -0.1389
ATOM H09 H809 0.1398
ATOM H0A H810 0.1307
ATOM H0B H811 0.1384
BOND C01 C00
BOND C02 C00
BOND H03 C00
BOND C04 C01
BOND H05 C01
BOND C06 C04
BOND H07 C04
BOND C08 C06
BOND H09 C06
BOND H0A C08
BOND H0B C02
BOND C08 C02
IMPR H03 C00 C01 C02
IMPR H05 C01 C00 C04
IMPR H07 C04 C01 C06
IMPR H09 C06 C04 C08
IMPR C06 C08 C02 H0A
IMPR C08 C02 C00 H0B
PATCH FIRST NONE LAST NONE
END
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