[gmx-users] periodic condition for a hexagonal prism

Mu Yuguang (Dr) YGMu at ntu.edu.sg
Fri Sep 16 11:29:59 CEST 2005

Dear All,
Is there a way to use hexagonal prism condition (good for DNA fiber) in
gromacs ?

Dr. Yuguang Mu
Division of Structural and Computational Biology
School of Biological Sciences
Nanyang Technological University
60 Nanyang Drive 
Singapore 637551
Tel: 63162885
Fax: 67913856
-----Original Message-----
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Mark Abraham
Sent: Friday, September 16, 2005 12:33 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] box type in gro file

> In gro file the last line gives the information of periodic box.
> first three numbers of a,b,c, what other numbers mean?

See http://www.gromacs.org/documentation/reference_3.2/online/files.html

They give the vectors describing the periodic box, which need not be 
rectangular, of course.


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