[gmx-users] [Fwd: two questions about Gromacs!]
leafyoung81-group at yahoo.com
Tue Sep 13 17:57:59 CEST 2005
>-------- Forwarded Message --------
>From: Zunliang Wang <zlwang at seu.edu.cn>
>To: spoel at xray.bmc.uu.se
>Subject: two questions about Gromacs!
>Date: Tue, 13 Sep 2005 23:33:29 +0800
>I have two questions about Gromacs3.2.1 :
>First ,in general, the genbox program could only generate a 3D
> 'brick-like' box , right ?
genbox is used to generate solvents to fill up the designated box.
>Second , by default, the command "editconf -bt tric -box 4 5 6 " also
>can generate a rectangular 3D box of dimensions 4X5X6 nm, right ?
>If it's right , the above two cases is equivalent ,for example genbox -
>box 4 5 6 can be replaced by editconf -bt tric -box 4 5 6 , right ?
editconf -box x y z only defines the box (for .gro, merely modify the
last line). It is used to shift the molecule too (-center, or -translate...)
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