Hi all,
I am studying the fusion of small aggregates that can occur near the
crossover point of my PBC. So for measuring distances between two of
these objects I have defined 2 groups, each containing several
monomers. Each time a monomer crosses the wall of the box, g_dist does
not consider the periodicity to calculate the correct COM of the
corresponding aggregate. I got artificial distance fluctuation in the
measured distance.
Is there a solution to correct this behavior ?
I use multiple trjconv with PBC treatment to dirty fix that ...
JPierre
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Jean-Pierre Duneau
Université de la Méditerranée
LISM/CNRS
31, che Joseph Aiguier
13420 Marseille
04 91 16 44 85
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