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nomad-meta-info
nomad-meta-info
Commit 3c831ce4 authored by Berk Onat's avatar Berk Onat
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Rearranging meta info for CHARMM parser

parent 206c85c7
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Showing with 21 additions and 21 deletions
meta_info/nomad_meta_info/charmm.nomadmetainfo.json
View file @ 3c831ce4
......@@ -448,7 +448,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm output trajectory file.",
......@@ -457,7 +457,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm output trajectory file.",
......@@ -466,7 +466,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm output file for velocities in the trajectory.",
......@@ -475,7 +475,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm output file for forces in the trajectory.",
......@@ -484,7 +484,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm output coordinates file.",
......@@ -493,7 +493,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm output coordinates on log.",
......@@ -502,7 +502,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm output velocities file.",
......@@ -511,7 +511,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm output forces file.",
......@@ -520,7 +520,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm input coordinates file.",
......@@ -529,7 +529,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm input coordinate on log file.",
......@@ -538,7 +538,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm input velocities file.",
......@@ -547,7 +547,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm restart coordinates file.",
......@@ -556,7 +556,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm restart velocities file.",
......@@ -565,7 +565,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm RTF residue file.",
......@@ -574,7 +574,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm PRM parameter file.",
......@@ -583,7 +583,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm CRD coordinates file.",
......@@ -592,7 +592,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm stream input/output.",
......@@ -601,7 +601,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm stream RTF input.",
......@@ -610,7 +610,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm stream parameter input.",
......@@ -619,7 +619,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "charmm MD output log file.",
......@@ -628,7 +628,7 @@
"shape": [],
"superNames": [
"section_run",
"x_charmm_section_input_output_files"
"x_charmm_section_control_parameters"
]
}, {
"description": "Parameters of mdin belonging to x_charmm_section_control_parameters.",
......
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