Commit 3c831ce4 authored by Berk Onat's avatar Berk Onat

Rearranging meta info for CHARMM parser

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