repo.or.cz
/
gromacs.git
/
blob
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
blame
|
history
|
raw
|
HEAD
Properly finalize MPI on mdrun -version. Fixes #1313
[gromacs.git]
/
share
/
top
/
residuetypes.dat
blob
1e8d527ed77e593017f9aced3ab1d72a8d49f4a1
1
ABU Protein
2
ACE Protein
3
AIB Protein
4
ALA Protein
5
ARG Protein
6
ARGN Protein
7
ASN Protein
8
ASN1 Protein
9
ASP Protein
10
ASP1 Protein
11
ASPH Protein
12
ASH Protein
13
CT3 Protein
14
CYS Protein
15
CYS1 Protein
16
CYS2 Protein
17
CYSH Protein
18
DALA Protein
19
GLN Protein
20
GLU Protein
21
GLUH Protein
22
GLH Protein
23
GLY Protein
24
HIS Protein
25
HIS1 Protein
26
HISA Protein
27
HISB Protein
28
HISH Protein
29
HISD Protein
30
HISE Protein
31
HISP Protein
32
HSD Protein
33
HSE Protein
34
HSP Protein
35
HYP Protein
36
ILE Protein
37
LEU Protein
38
LSN Protein
39
LYS Protein
40
LYSH Protein
41
MELEU Protein
42
MET Protein
43
MEVAL Protein
44
NAC Protein
45
NME Protein
46
NHE Protein
47
NH2 Protein
48
PHE Protein
49
PHEH Protein
50
PHEU Protein
51
PHL Protein
52
PRO Protein
53
SER Protein
54
THR Protein
55
TRP Protein
56
TRPH Protein
57
TRPU Protein
58
TYR Protein
59
TYRH Protein
60
TYRU Protein
61
VAL Protein
62
PGLU Protein
63
HID Protein
64
HIE Protein
65
HIP Protein
66
LYP Protein
67
LYN Protein
68
CYN Protein
69
CYM Protein
70
CYX Protein
71
DAB Protein
72
ORN Protein
73
HYP Protein
74
NALA Protein
75
NGLY Protein
76
NSER Protein
77
NTHR Protein
78
NLEU Protein
79
NILE Protein
80
NVAL Protein
81
NASN Protein
82
NGLN Protein
83
NARG Protein
84
NHID Protein
85
NHIE Protein
86
NHIP Protein
87
NHISD Protein
88
NHISE Protein
89
NHISH Protein
90
NTRP Protein
91
NPHE Protein
92
NTYR Protein
93
NGLU Protein
94
NASP Protein
95
NLYS Protein
96
NORN Protein
97
NDAB Protein
98
NLYSN Protein
99
NPRO Protein
100
NHYP Protein
101
NCYS Protein
102
NCYS2 Protein
103
NMET Protein
104
NASPH Protein
105
NGLUH Protein
106
CALA Protein
107
CGLY Protein
108
CSER Protein
109
CTHR Protein
110
CLEU Protein
111
CILE Protein
112
CVAL Protein
113
CASN Protein
114
CGLN Protein
115
CARG Protein
116
CHID Protein
117
CHIE Protein
118
CHIP Protein
119
CHISD Protein
120
CHISE Protein
121
CHISH Protein
122
CTRP Protein
123
CPHE Protein
124
CTYR Protein
125
CGLU Protein
126
CASP Protein
127
CLYS Protein
128
CORN Protein
129
CDAB Protein
130
CLYSN Protein
131
CPRO Protein
132
CHYP Protein
133
CCYS Protein
134
CCYS2 Protein
135
CMET Protein
136
CASPH Protein
137
CGLUH Protein
138
DA DNA
139
DG DNA
140
DC DNA
141
DT DNA
142
DA5 DNA
143
DG5 DNA
144
DC5 DNA
145
DT5 DNA
146
DA3 DNA
147
DG3 DNA
148
DC3 DNA
149
DT3 DNA
150
DAN DNA
151
DGN DNA
152
DCN DNA
153
DTN DNA
154
A RNA
155
U RNA
156
C RNA
157
G RNA
158
RA RNA
159
RU RNA
160
RC RNA
161
RG RNA
162
RA5 RNA
163
RT5 RNA
164
RU5 RNA
165
RC5 RNA
166
RG5 RNA
167
RA3 RNA
168
RT3 RNA
169
RU3 RNA
170
RC3 RNA
171
RG3 RNA
172
RAN RNA
173
RTN RNA
174
RUN RNA
175
RCN RNA
176
RGN RNA
177
SOL Water
178
WAT Water
179
HOH Water
180
OHH Water
181
TIP Water
182
T3P Water
183
T4P Water
184
T5P Water
185
T3H Water
186
K Ion
187
NA Ion
188
CA Ion
189
MK Ion
190
CL Ion
191
ZN Ion
192
CU1 Ion
193
CU Ion
194
LI Ion
195
NA
+
Ion
196
RB Ion
197
CS Ion
198
F Ion
199
CL
-
Ion
200
BR Ion
201
I Ion
202
OH Ion
203
Cal Ion
204
IB
+
Ion