提交: 395a389a9ea9fe8f37ffd2c565f96190a75f1bac - myprojects-hg-reborn (hg)

Commit MetaInfo

• 修訂: 395a389a9ea9fe8f37ffd2c565f96190a75f1bac (tree)
• 時間: 2008-07-09 04:50:35
• 作者: iselllo
• Commiter: iselllo

Log Message

I corrected a small typo; the definition of the box size should not depend on cluster_size at all; it simply should
have the same value as the box of simulation which originated the cluster. I am calculating the box_size right now by
using the same formula as in the tcl script.

Change Summary

• modified: Python-codes/fold_positions_reconstruct.py

差異

diff -r 2adad25ba44a -r 395a389a9ea9 Python-codes/fold_positions_reconstruct.py
--- a/Python-codes/fold_positions_reconstruct.py	Tue Jul 08 18:01:22 2008 +0000
+++ b/Python-codes/fold_positions_reconstruct.py	Tue Jul 08 19:50:35 2008 +0000
@@ -16,9 +16,14 @@
 
 
 size_cluster=50
-density=0.03
+density=0.01
 
-box_size=(size_cluster/density)**(1./3.)  #here the box size does not depend on the total particle number
+box_size=(5000./density)**(1./3.)  #here the box size does not depend on the total particle number
+
+#here I am using 5000 since that is the number of monomers I was using in the simulation from which I
+#extracted the aggregate; basically I am re-writing the formula to be sure I am generating the same box
+#as the one I was using in the original simulation which gave rise to the cluster I want to relocate
+#in a MUCH larger box.
 
 #pos_arr=p.load("initial_5")
 pos_arr=p.load("read_pos_1490_initial")