gromacs-data 4.5.5-2 / usr / share / gromacs / top / gmx.ff / aminoacids.hdb

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/usr/share/gromacs/top/gmx.ff/aminoacids.hdb is in gromacs-data 4.5.5-2.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below. 

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ABU     1       
1	1	H	N	-C	CA
ACEH    1       
3	4	HA	CA	C	O
AIB     1       
1	1	H	N	-C	CA
ALA     1       
1	1	H	N	-C	CA
ARG     4       
1	1	H	N	-C	CA
1	1	HE	NE	CD	CZ
2	3	HH1	NH1	CZ	NE
2	3	HH2	NH2	CZ	NE
ARGN    4       
1	1	H	N	-C	CA
1	1	HE	NE	CD	CZ
1	2	HH1	NH1	CZ	NE
2	3	HH2	NH2	CZ	NE
ASN     2       
1	1	H	N	-C	CA
2	3	HD2	ND2	CG	CB
ASP     1       
1	1	H	N	-C	CA
ASP1    2       
1	1	H	N	-C	CA
1	2	HD1	OD1	CG	CB
ASPH    2       
1	1	H	N	-C	CA
1	2	HD2	OD2	CG	CB
BEN     7       
1	1	H2	C2	C1	C3
1	1	H3	C3	C2	C4
1	1	H4	C4	C3	C5
1	1	H5	C5	C4	C6
1	1	H6	C6	C5	C1
2	3	H1	N1	C7	C1
2	3	H2	N2	C7	C1
CYS2    1       
1	1	H	N	-C	CA
CYSH    2       
1	1	H	N	-C	CA
1	2	HG	SG	CB	CA
FAD     7       
2	3	HN6	AN6	AC6	AC5
1	2	HO2*	AO2*	AC2*	AC1*
1	2	HO3*	AO3*	AC3*	AC2*
1	2	H4*	O4*	C4*	C5*
1	2	H3*	O3*	C3*	C4*
1	2	H2*	O2*	C2*	C3*
1	2	H3	N3	C4	C4A
GLN     2       
1	1	H	N	-C	CA
2	3	HE2	NE2	CD	CG
GLU     1       
1	1	H	N	-C	CA
GLUH    2       
1	1	H	N	-C	CA
1	2	HE2	OE2	CD	CG
GLY     1       
1	1	H	N	-C	CA
HIS1    2       
1	1	H	N	-C	CA
1	1	HD1	ND1	CG	CE1
HISA    2       
1	1	H	N	-C	CA
1	1	HD1	ND1	CG	CE1
HISB    2       
1	1	H	N	-C	CA
1	1	HE2	NE2	CE1	CD2
HISH    3       
1	1	H	N	-C	CA
1	1	HD1	ND1	CG	CE1
1	1	HE2	NE2	CE1	CD2
HO4     1       
3	10	HW	OW
HOH     1       
2	7	HW	OW
HYP     1       
1	2	HD1	OD1	CG	CB
ILE     1       
1	1	H	N	-C	CA
LEU     1       
1	1	H	N	-C	CA
LYS     2       
1	1	H	N	-C	CA
2	4	HZ	NZ	CE	CD
LYSH    2       
1	1	H	N	-C	CA
3	4	HZ	NZ	CE	CD
MET     1       
1	1	H	N	-C	CA
NAC     1       
1	1	H	N	-C	CA
NACH    2       
1	1	H	N	-C	CA
3	4	HA	CA	N	NH
NH2     1       
2	3	H	N	-C	-CA
PHE     6       
1	1	H	N	-C	CA
1	1	HD1	CD1	CG	CE1
1	1	HD2	CD2	CG	CE2
1	1	HE1	CE1	CD1	CZ
1	1	HE2	CE2	CD2	CZ
1	1	HZ	CZ	CE1	CE2
PHEU    1       
1	1	H	N	-C	CA
PHL     7       
1	1	H	N	-C	CA
1	1	HD1	CD1	CG	CE1
1	1	HD2	CD2	CG	CE2
1	1	HE1	CE1	CD1	CZ
1	1	HE2	CE2	CD2	CZ
1	1	HZ	CZ	CE1	CE2
1	2	HY	OY	CX	CA
SER     2       
1	1	H	N	-C	CA
1	2	HG	OG	CB	CA
TFE     1       
1	2	H	O	CH2	C
THR     2       
1	1	H	N	-C	CA
1	2	HG1	OG1	CB	CA
TRP     7       
1	1	H	N	-C	CA
1	1	HD1	CD1	CG	NE1
1	1	HE1	NE1	CD1	CE2
1	1	HE3	CE3	CD2	CZ3
1	1	HZ3	CZ3	CE3	CH2
1	1	HH2	CH2	CZ3	CZ2
1	1	HZ2	CZ2	CE2	CH2
TRPU    2       
1	1	H	N	-C	CA
1	1	HE1	NE1	CD1	CE2
TYR     6       
1	1	H	N	-C	CA
1	1	HD1	CD1	CG	CE1
1	1	HD2	CD2	CG	CE2
1	1	HE1	CE1	CD1	CZ
1	1	HE2	CE2	CD2	CZ
1	2	HH	OH	CZ	CE1
TYRU    2       
1	1	H	N	-C	CA
1	2	HH	OH	CZ	CE1
VAL     1       
1	1	H	N	-C	CA

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