Hi all,
Currently I am working with CG- Mie potentials and I have obtained good results, but option clustsize doesn't work well for me after simulation. I think that the problem could be in the .mdp production file which I attach here, do you see where could be my mistake?
thanks a lot
Dear Placido,
I am not sure what exactly you get from clustsize and what is your problem with that. Based on the .mdp file, in my view, your problem is with these three command:
nstxout = 200000
nstvout = 0
nstfout = 0
change them to
nstxout = 1000
nstvout = 1000
nstfout = 1000
Hi Placido! What do you mean exactly by "doesn't work well for me after simulation"? What arguments do you pass to the function clustsize and what problem do you get?
Hi Inna,
because I have a disolution with 100 dispersed particles of asphaltenes. After simulation I can see that almost every particle are agregated so I expected to obtain one table which increase since cero to 100 throught the simulation time. But otherwise I obtain this table.
Thanks a lot
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