Hello everybody,
I have 40 100-length polymer in my system and I want to calculate the radius of gyration of them, so I wrote these lines in my program:
analyze set chains 0 40 100
set rg1 [lindex [analyze rg 0 1 100] 0], this is to calculate the rg of just one polymer, is it right?
set rg2 [lindex [analyze rg] 0], this is to calculate the rg of all the
polymer, is it right?
puts $obs1 "[setmd time] $rg1"
puts $obs2 "[setmd time] $rg2"
The problem is that the rg fluctuates a lot, for example it goes from 16 to 8 gradually, but finally it gets back to 16, again.
I would appreciate if anyone could help me solve this problem.
Cheers,
Roya