[gmx-users] rotational fit in XY plane only
erikm at xray.bmc.uu.se
Wed May 2 15:49:54 CEST 2007
2 maj 2007 kl. 15.13 skrev Berk Hess:
>> 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
>>> 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 branch.
My, you're fast!
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Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
erikm at xray.bmc.uu.se http://xray.bmc.uu.se/molbiophys
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