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--- equilb_test [2026/07/24 12:54] – edit
+++ equilb_test [2026/07/25 13:16] (current) – edit
@@ Line 52: / Line 52: @@
 Change the initial guess (or your preference) for block size (in ns) and the steps size (in ns) of your output (usually 10ps, but make sure to match your xst freq. As a note, xstfreq=5000 means 10ps):
-  ./area_handling.py 10 0.01 >& all.dat
+<code>
+# the formula for step size in ns is xstfreq * timestep * 10^-6 (assuming timestep is fs/step)
+# Example: if xstfreq is 5000 and timestep is 2.0 (values located in dyn.inp) step size = 0.01
+./area_handling.py 10 0.01 >& all.dat
+</code>
 After running //pymbar_area_ka.scr//, you'll see //all.dat//, SA/lipid is in angstrom^2 and Ka is in N/m.
@@ Line 63: / Line 68: @@
 <code>
 conda clean --all -y
+# if that still doesn't work, run
 echo "number_channel_notices: 0" >> ~/.condarc
 </code>