[gmx-users] orientational relaxation
Mark.Abraham at anu.edu.au
Tue Apr 12 07:28:31 CEST 2011
> yes , position restraints of molecules that only allow to orient.
What's your question? Most tutorials will use position restraints at
some stage. There's theory discussion in the manual.
> --- On *Mon, 4/11/11, Mark Abraham /<Mark.Abraham at anu.edu.au>/* wrote:
> From: Mark Abraham <Mark.Abraham at anu.edu.au>
> Subject: Re: [gmx-users] orientational relaxation
> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Date: Monday, April 11, 2011, 9:10 PM
>> dear users
>> how can i make a orientational relaxation without traslation of
>> molecules center of mass
>> thanks in advances
> Position restraints?
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