Dear Friends,

I generate different composite amorphous polymeric systems by using Amorphous Cell modules. when I start an equilibration process  by molecular dynamics under NPT ensemble, all cell dimensions (X,Y,Z  or A,B,C) are changed but always the ratio of  X/Y or A/B  is constant. This behaviors, prevent a complete relaxation and always the average stresses in these two directions are different. Is there any way to decouple all cell dimensions?

Thanks

Saeed