Radius of gyration based
+
Radius of gyration based
on Cα coordinates
-
@@ -297,34 +412,66 @@ Created {{ task.created_date }}
{% if task.md_pdbref %}
- RMSD
- ![]()
RMSD
+
+
+
+ fraction of native
+ side-chain concacts
+
+
{% endif %}
+
+ {% if task.md_start == "pdbstart" %}
+
+ fluctuations
+
+
+
+
+ fluctuations putty on
+ starting structure
+
+
+
+ {% endif %}
+
+
+
{% endif %}
{% if task.type == "remd" %}
- Energy histogram
- ![]()
Energy histogram
+
- Energy vs. temperature
- ![]()
Energy vs. temperature
+
- Cv vs. temperature
- ![]()
Cv vs. temperature
+
@@ -332,94 +479,190 @@ Created {{ task.created_date }}
{% if task.md_pdbref %}
- Average RMSD vs. temperature
- ![]()
Average RMSD vs. temperature
+
- potential energy vs. RMSD
- ![]()
potential energy vs. RMSD
+
+
+ RMSD vs. step*replica
+ colored by bath temperature
+
+
+
{% endif %}
- exchanges (walk in T)
- ![]()
exchanges (walk in T)
+
-
+
+ {% if task.saxs_data != "" %}
+
+ P(r) of input SAXS data and
+ calculated for 5 models and the input pdb
+
+
+ {% endif %}
+
+
+
+
+
+
+ select model
+
+
+
+
+
+
+
- model1 after conversion
+
model1 after conversion
to allatom
{{ task.remd_model1|linebreaks }}
-
+
- model2 after conversion
+
model2 after conversion
to allatom
{{ task.remd_model2|linebreaks }}
-
+
- model3 after conversion
+
model3 after conversion
to allatom
{{ task.remd_model3|linebreaks }}
-
+
- model4 after conversion
+
model4 after conversion
to allatom
{{ task.remd_model4|linebreaks }}
-
+
- model5 after conversion
+
model5 after conversion
to allatom
{{ task.remd_model5|linebreaks }}
-
{% endif %}
{% endif %}
+
+
+
+
+
+
+
+{% if not task.done %}
+
+{% endif %}
+
+
{% endblock %}
