[gmx-users] rotational fit in XY plane only
ikass at uq.edu.au
Thu May 3 02:16:10 CEST 2007
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.
Berk Hess wrote:
>> From: "Berk Hess" <gmx3 at hotmail.com>
>> Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>> To: gmx-users at 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 <ikass at uq.edu.au>
>>> Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>> To: Discussion list for GROMACS users <gmx-users at 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?
>> 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
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"Prediction is very difficult, especially about the future" - Niels Bohr
| Itamar Kass, Ph.D.
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