[gmx-users] deform

Alex nedomacho at gmail.com
Fri Jun 15 01:22:14 CEST 2018


Hi all,

I am looking at the online documentation for the mdp option 'deform' and
this whole set of numbers " a(x) b(y) c(z) b(x) c(x) c(y) " is a bit
unclear in terms of the notation.

Say, I want to gradually dilate the box only along x and y at equal rates
rx and ry, nothing for the rest of the components. Is it then 'deform rx ry
0 0 0 0' ?

Thanks,

Alex


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