Well, you can ofcourse run trjconv twice...
Tsjerk
On 5/3/07, Itamar Kass <[EMAIL PROTECTED]> wrote:
Dear Berk,
Thanks you very much for your quick and helpfully replay. If I may be a
bit nudnik and ask to get it as "rotxy+transxyz" instated of
"rotxy+transxy" thats will be wonderfully.
Thanks, Itamar
Best,
Itamar
Berk Hess wrote:
>
>
>
>> From: "Berk Hess" <[EMAIL PROTECTED]>
>> Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
>> To: gmx-users@gromacs.org
>> Subject: RE: [gmx-users] rotational fit in XY plane only
>> Date: Wed, 02 May 2007 14:10:59 +0200
>>
>>
>>
>>
>>> From: Dr Itamar Kass <[EMAIL PROTECTED]>
>>> Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
>>> To: Discussion list for GROMACS users <gmx-users@gromacs.org>
>>> Subject: [gmx-users] rotational fit in XY plane only
>>> Date: Wed, 02 May 2007 19:44:12 +0800
>>>
>>> Hi all,
>>>
>>> I study a protein which is moving toward an interface during my
>>> simulation. In order to analyse the why the protein is bound to the
>>> interface I want to fit all my results. There is no problem with
>>> translational fit, but I want to do rotational fit only in the XY plane.
>>> Is there a nice way of doing so?
>>>
>>> Best,
>>> Itamar
>>
>>
>> Currently there is not.
>> I would like to have that feature as well.
>
>
> I implemented an xy only fitting option for trjconv in the development
> branch.
>
> Berk.
>
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--
"Prediction is very difficult, especially about the future" - Niels Bohr
===========================================
| Itamar Kass, Ph.D.
| Postdoctoral Research Fellow
|
| Molecular Dynamics Group
| School of Molecular and Microbial Sciences (SMMS)
| Chemistry Building (#68)
| The University of Queensland
| St. Lucia Campus, Brisbane, QLD 4067
| Australia
|
| Tel: +61 7 3365 9922
| Fax: +61 7 3365 3872
| E-mail: [EMAIL PROTECTED]
| Web page: http://www.uq.edu.au/~uqikass/
| Personal web page: http://thekassfamily.blogspot.com/
============================================
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Sender and not the views of The University of Queensland
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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
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3584 CH Utrecht
The Netherlands
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