[gmx-users] David, how to make a rigid molecule?

Tommy Carstensen tc at stud.ku.dk
Fri Jul 22 10:43:09 CEST 2005

Hi Xie,

I would recommend that you apply a transformation matrix yourself to your


-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
On Behalf Of xieyh at hkusua.hku.hk
Sent: 22. juli 2005 09:10
To: gmx-users at gromacs.org
Subject: [gmx-users] David, how to make a rigid molecule? 

Dear David:

In my system, I have a molecule, and I need this molecule to behavior as a
one. In other words, this molecule can move or rotate, but the relative
position of two internal atoms and the relative angle between three
atoms etc. are fixed. 

How to realize it under Gromacs? 

Thanks in advance!

Best regards,
Xie YH 

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