Commit: 3ad4a6a44268d717414b1c522001d8f289f85b34 - myprojects-hg-reborn (hg)

Commit MetaInfo

• Revisão: 3ad4a6a44268d717414b1c522001d8f289f85b34 (tree)
• Hora: 2009-02-03 01:24:02
• Autor: iselllo
• Commiter: iselllo

Mensagem de Log

Now the code has everything: it creates a linear chain and it reads the set of corresponding eta factors.

Mudança Sumário

• modified: TCL-codes/test_bond_angle_8_monomers.tcl

Diff

diff -r e6ade52c0c2e -r 3ad4a6a44268 TCL-codes/test_bond_angle_8_monomers.tcl
--- a/TCL-codes/test_bond_angle_8_monomers.tcl	Mon Feb 02 15:21:57 2009 +0000
+++ b/TCL-codes/test_bond_angle_8_monomers.tcl	Mon Feb 02 16:24:02 2009 +0000
@@ -8,7 +8,7 @@
 
 #number of chains
 
-set type_of_part 3
+set type_of_part 200
 
 #total number of monomers
 
@@ -19,7 +19,7 @@
 
 
 
-set box_l 1000.
+set box_l 10000.
 
 
 setmd box_l $box_l $box_l $box_l
@@ -28,23 +28,56 @@
 puts "the box side is, $box_l"
 
 
+#Now I read the eta factors
+
+set filename "eta_0_8_200" 
+
+
+set fp [open $filename "r"]
+set eta0 [split [read $fp [file size $filename]] "\n"]
+close $fp
+
+
+set filename "eta_1_8_200" 
+
+
+set fp [open $filename "r"]
+set eta1 [split [read $fp [file size $filename]] "\n"]
+close $fp
+
+
+
+
+
+
 set q 0
 
   for {set i 0} { $i < $tot_part } {incr i} {
 
+set eta0_temp [lindex $eta0 $i]
+
+set eta1_temp [lindex $eta1 $i]
+
+
 set type [expr $i/$n_part]
 
 puts "type is, $type"
  
 
 set posx [expr -$n_part/2+($i%$n_part)*1.05 +$box_l/2.]
-puts "posx is, $posx"
+#puts "posx is, $posx"
 set posy [expr $box_l/2.]
 set posz [expr $box_l/2.]
 
 
 
-part $i pos $posx $posy $posz q $q type $type 
+part $i pos $posx $posy $posz q $q type $type eta $eta0_temp $eta1_temp
+
+# set test_eta [part $i print eta]
+
+# puts "eta for the i-th particle is, $test_eta"
+
+
 
 
  }
@@ -57,7 +90,7 @@
 
 for {set i 0} { $i < $type_of_part } { incr i} {
 
-puts "i now is, $i"
+#puts "i now is, $i"
 
 inter $i $i tabulated tabulated_interaction.dat
 
@@ -73,7 +106,7 @@
 for {set i 0} { $i < $type_of_part } { incr i} {
 
     for {set m 1} {$m< [expr $n_part-1]} {incr m} {
-puts "m is, $m"
+#puts "m is, $m"
 
 	part [expr $m +$i*$n_part] bond 4 [expr $m-1+$i*$n_part] [expr $m+1+$i*$n_part] 
 
@@ -87,20 +120,10 @@
 
 
 
-# inter 4 angle 500. 
-
-# part 1 bond 4 0 2 
-
-# part 2 bond 4 1 3
 
-# part 3 bond 4 2 4
-
-# part 4 bond 4 3 5 
 
-# part 5 bond 4 4 6
 
-# part 6 bond 4 5 7 
- 
+
  
  
 
@@ -150,7 +173,7 @@
 setmd time_step $my_step; setmd skin 0.4
 set temp 0.5 ; set gamma  1.
 thermostat langevin $temp $gamma
-set vmd "yes"
+set vmd "no"
 
 if { $vmd == "yes" } {
 # This calls a small tcl script which starts the program    #
@@ -181,7 +204,7 @@
 
 #initialization random numbers
 
-expr srand(100)
+expr srand(400)
 set l ""; for {set i 0} {$i < [setmd n_nodes]} {incr i} {
  lappend l [expr int(32768*rand())]
 }