[gmx-users] [Fwd: two questions about Gromacs!]

David spoel at xray.bmc.uu.se
Tue Sep 13 17:23:45 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
Hello ,David,
I have two questions about Gromacs3.2.1 :
First ,in general, the genbox program could only generate a 3D
( rectangular)
 'brick-like' box , right ?
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 ?
 
THank you!
 
Zunliang 
 
Southeast University.
Nanjing ,China.
9-13-2005
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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