run.examples

Sun Jul 17 18:21:36 MST 2005

cleaned up directory:
	files associated with xgobi -> 0-xgobi-prep
	files of prev. accum. output -> 0-Old

usual port problems:
	ksh->sh
	../reaction/react -> react
	test on local prep deleted - assume present on path
	etc minor

all progs appear to work


cf with previous data - 
	runldh_50_rev ...r files
	runMM
		differences in less significant digits --- ok

various mechanisms simulated:

runHaldane - scr.m
1.e8	E + S -> ES
1.e0	ES -> E + S
1.e2	ES -> E + P


runMM - scr.m
1.e8	E + S -> ES
1.e2	ES -> E + S
1.e0	ES -> E + P


runbiphasic - scr.m
1.	e1 -> p
.1	e2 -> p
0.	e1 -> e2
0.	e2 -> e1


runcht_amide - scr.m
6.e7	E + S -> X1
1.e4	X1 -> E + S
1.5	X1 -> X2
30	X2 -> X1
0.043	X2 -> X3 + P1
50	X3 -> E + P2


runcht_ester - scr.m
1.e8	E + S -> X1
2.1e5	X1 -> E + S
35	X1 -> X2 + P1
0.84	X2 -> E + P2


runcht_ester1 - scr.m
1.e8	E + S -> X1
2.1e5	X1 -> E + S
35	X1 -> X2 + P1
0.84	X2 -> E + P2


runlacatmase - scr.m
4.e7	E + S -> ES
2.e3	ES -> E + S
4.e3	ES -> EX
2.e3	EX -> E + P


runldh_0 - scr.m
4.00e5	E + A -> EA
3.10e1	EA -> E + A
1.51e3	EA + B -> EAB
8.93e-1	EAB -> EA + B
3.60e1	EAB -> EY + X
9.26e7	EY + X -> EAB
2.53	EY -> E + Y
2.98e6	E + Y -> EY


runldh_50 - scr.m
1.45e6	E + A -> EA
1.27e3	EA -> E + A
2.59e6	EA + B -> EAB
3.22e4	EAB -> EA + B
2.20e3	EAB -> EY + X
1.75e6	EY + X -> EAB
4.33e2	EY -> E + Y
1.28e8	E + Y -> EY


runldh_50_rev - scr.m
1.45e6	E + A -> EA
1.27e3	EA -> E + A
2.59e6	EA + B -> EAB
3.22e4	EAB -> EA + B
2.20e3	EAB -> EY + X
1.75e6	EY + X -> EAB
4.33e2	EY -> E + Y
1.28e8	E + Y -> EY


runlys - scr.m
20	EU2 -> EU1
200	EU1 -> EU2
6.25e3	EU1 -> E + S
1.e8	E + S -> EU1
1.e8	E + S -> ESB1
5e3	ESB1 -> E + S
14	ESB1 -> ESB2
5	ESB2 -> ESB1
.46	ESB2 -> ESG
.13	ESG -> ESB2
.038	ESG -> E + P1 + P2


runone_step - scr.m
1.0e5	EU1 -> E + S
1.0e8	E + S -> EU1


runtwo_step - scr.m
1.0e0	EU2 -> EU1
1.0e2	EU1 -> EU2
1.0e5	EU1 -> E + S
1.0e8	E + S -> EU1
