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

[Tommy Carstensen]

Hi Xie,

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

Tommy

-----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
rigid
one. In other words, this molecule can move or rotate, but the relative
position of two internal atoms and the relative angle between three
neighboring
atoms etc. are fixed. 

How to realize it under Gromacs? 

Thanks in advance!


Best regards,
Xie YH 



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