[gmx-users] editconf subroutine

Maria Ratajczak mkratajczak at gmail.com
Thu Oct 9 06:04:21 CEST 2008


Hello,
I how does editconf subroutine calculate the triclinc box dimensions (v1(x),
v2(y), v3(z), v1(y) etc) from, for example, a .pdf file that has
lattice dimensions information (a, b, c, alpha, beta, gamma).

I would really appreciate a mathematical formula for each of these elements
(v1(x), v2(y), v3(z), v1(y) etc) or at least where can I find this
information?

Thank you
maria
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