Dear gmx users When simulating the process of surfactant self-assembly, is there any specific consideration in converting the trajectory to a continuous form? I read in the mailing list that in the simulation of clusters (such as micelles) the molecules must be whole in the reference structure (tpr) in order to use the trjconv -pbc nojump command. So is it correct to use a reference structure corresponding to the initial random configuration of surfactant molecules and expect to reach a final structure with complete micelles? Thank you very much in advance
Mojdeh Akhavan Ph.D. student of Physical Chemistry K.N. Toosi University of Technology Theoretical Physical Chemistry Group http://www.chem.kntu.ac.ir/~sjalili/
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