gromacs-data 2018.1-1 / usr / share / gromacs / top / oplsaa.ff / aminoacids.c.tdb

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/usr/share/gromacs/top/oplsaa.ff/aminoacids.c.tdb is in gromacs-data 2018.1-1.

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The actual contents of the file can be viewed below. 

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[ None ]

[ GLY-COO- ]
[ replace ]
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C	C	opls_271	12.011	0.7
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[ GLY-ZWITTERION_COO- ]
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C	C	opls_271	12.011	0.7
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OXT	O2	opls_272	15.9994	-0.8
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[ impropers ]
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[ PRO-COO- ]
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C	C	opls_271	12.011	0.7
O	O1	opls_272	15.9994	-0.8
OXT	O2	opls_272	15.9994	-0.8
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	opls_272	15.9994	-0.8
[ impropers ]
CA	O1	C	O2	improper_O_C_X_Y

[ PRO-ZWITTERION_COO- ]
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C	C	opls_271	12.011	0.7
O	O1	opls_272	15.9994	-0.8
OXT	O2	opls_272	15.9994	-0.8
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[ impropers ]
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[ COO- ]
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C	C	opls_271	12.011	0.7
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OXT	O2	opls_272	15.9994	-0.8
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[ impropers ]
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[ ZWITTERION_COO- ]
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C	C	opls_271	12.011	0.7
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OXT	O2	opls_272	15.9994	-0.8
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[ GLY-COOH ]
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[ add ]
1	2	OT	C	CA	N
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1	2	HO	O	C	CA
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[ impropers ]
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[ COOH ]
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O	O	opls_268	15.9994	-0.53
OXT	OT	opls_269	15.9994	-0.44
[ add ]
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1	2	HO	O	C	CA
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[ impropers ]
CA	OT	C	O	improper_O_C_X_Y

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