[gmx-users] orientational relaxation

Mark Abraham 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.

Mark

>
> regards.
>
> --- 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?
>
>     Mark
>
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