[ESPResSo] Analyzing chains of various lengths

[gil claudio]

Dear all,

I am simulating a number of chains in one simulation
box.  Each chain has different chain lengths
(polydisperse).  My main question is how to write the
script to analyze these chains.

Assume I have 10 chains.  And let's say I need to get
the re, rg, and rh of each of these chains.

The first step is to write "analyze set chains [...]".
 In my case, do I do SCRIPT A or SCRIPT B (written
below)?

SCRIPT A:
for {set i 0} {$i < 10} { incr i } {
   analyze set chains ID_of_chain_i 1
length_of_chain_i
}
for {set i 0} {$i < 10} { incr i } {
   analyze re ID_of_chain_i 1 length_of_chain_i
   analyze rg ID_of_chain_i 1 length_of_chain_i
   analyze rh ID_of_chain_i 1 length_of_chain_i
}

SCRIPT B:
for {set i 0} {$i < 10} { incr i } {
   analyze set chains ID_of_chain_i 1
length_of_chain_i
   analyze re ID_of_chain_i 1 length_of_chain_i
   analyze rg ID_of_chain_i 1 length_of_chain_i
   analyze rh ID_of_chain_i 1 length_of_chain_i
}

I guess the underlying question is: each time I use
"analyze set chains [...]" for one chain (chain X),
does the data of the previous chain (chain X-1) get
erased?

Or will Espresso know that there are two chains, chain
X and chain X-1?

Thanks.

Gil Claudio
MPIP


      
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