[gmx-users] Re: Re:Which kind of box?
tsjerkw at gmail.com
Fri Oct 14 13:43:09 CEST 2005
You just don't get it... Now find and read the paper of Bekker and do the
excercise from the previous mail. The answers are:
1. Your parallelogram can be transformed to a single hexagonal prism with
exactly the same lattice vectors, volume and content. One to one.
2. I think that when setting the box with -vectors and -angles, -bt tric is
implicit, but it doesn't hurt anyway.
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