[gmx-users] rectangular box: pressure coupling scaling

Johannes Wagner johannes.wagner at h-its.org
Wed Jun 14 17:59:09 CEST 2017


I have a question regarding box vector scaling for isotropic pressure coupling. If I have a rectangular, non-cubic box with isotropic coupling, how are the box vectors scaled? Are they all scaled by the same factor? Or could the box be heavily distorted if, say, I have a polymer in it and pull all polymers on two sides?

cheers, Johannes


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