[gmx-users] Hexamer problem

errabah fatima ezzahra errabahf at yahoo.fr
Tue Jul 5 21:03:43 CEST 2011

 I will really appreciate any help of suggestions.I am doing simulation of six monomers of identical helical peptide. the experiment literature say that the peptides in a aqueous  solution should form a hexamer. so i have done simulations for the six peptides under normal conditions with T of 300k and the result are two trimer that are perpendicular with each other. 

I don't know that to do to get the monomers rearrange and form a heaxamer instead of two trimers.

Thank you

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