simulation of hyperbranched polymers

From: faride badalkhani (
Date: Tue Apr 19 2016 - 07:54:49 CDT

Dear all,

I want to simulate a hyperbranched dendrimer, but I get error message such
Atoms moving too fast ..
Constraint failure in RATTLE algorithm for atom 6!
Low global cuda exclusion

I tried different ways to overcome this problem; simulated annealing in
vacuum and water box, several steps of minimization, but the same errors.

Finally I decided to start from a low generation dendrimer and add each
generation after equilibration of the G-1 generation. But, unfortunately I
got the same error in the first generation, again.

Could somebody help me with this issue?
It is a few days that I am waiting for the answer, but I hope this time
someone replies my email.
I can send the .pdb file of my structure if need be.


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