[gmx-users] deform option

Green gc77ers at gmail.com
Thu Nov 4 19:36:30 CET 2010


I posted this question earlier but no-one answered it to me so I am going to
ask this question again.
On deform option in .mdp file, what is being done if you are shearing the
system? i.e., if I do:

deform = 0 0 0 1 0 0

it seems to change box-xy value. but what does it mean?


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