[gmx-users] Box size

rose rahmani rose.rhmn93 at gmail.com
Mon May 7 19:25:09 CEST 2018


I have two nanosheet structure and they are infront of each other and about
3 nm far from each other.
I have some problems in fitting the box size. I used many options
triclinic, -box,... to fit the size, but it's not possible. The problem is
that atoms in ZnS nanosheet are not aligned and are up & down and this
makes the minus z dimension coordination and i can't use -box option. How
can i solve this problem? I want to make box size as fit as possible to
have the least solvent molecules in next step.


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