Re: [gmx-users] rotational fit in XY plane only

2007-06-28 Thread Carsten Kutzner
Hi Abu, with these commands you download the latest CVS version: cvs -z3 -d :pserver:[EMAIL PROTECTED]:/home/gmx/cvs login cvs -z3 -d :pserver:[EMAIL PROTECTED]:/home/gmx/cvs co gmx Carsten Naser, Md Abu wrote: > > I implemented an xy only fitting option for trjconv in the development >

Re: [gmx-users] rotational fit in XY plane only

2007-06-26 Thread David van der Spoel
Naser, Md Abu wrote: > > I implemented an xy only fitting option for trjconv in the development > > branch. > > > > Berk. In reference to the above replay of Berk, I was trying to get into CVS to get a copy of it. When I click on the "instructions on how to access our CVS repository", it s

[gmx-users] rotational fit in XY plane only

2007-06-26 Thread Naser, Md Abu
> > I implemented an xy only fitting option for trjconv in the development > > branch. > > > > Berk. In reference to the above replay of Berk, I was trying to get into CVS to get a copy of it. When I click on the "instructions on how to access our CVS repository", it says not authorised to acce

Re: [gmx-users] rotational fit in XY plane only

2007-05-03 Thread Berk Hess
had some D-amino peptides in my output). Berk. From: "Itamar Kass" <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users To: "Discussion list for GROMACS users" Subject: Re: [gmx-users] rotational fit in XY plane only Date: Thu, 3 May 2007 15:13:18 +1000 Hi

Re: [gmx-users] rotational fit in XY plane only

2007-05-02 Thread Itamar Kass
Hi, That what I did, I just hoped to be more lazy then I am already. Itamar - Original Message - From: "Tsjerk Wassenaar" <[EMAIL PROTECTED]> To: "Discussion list for GROMACS users" Sent: Thursday, May 03, 2007 2:31 PM Subject: Re: [gmx-users] rotational fi

Re: [gmx-users] rotational fit in XY plane only

2007-05-02 Thread Tsjerk Wassenaar
thats will be wonderfully. Thanks, Itamar Best, Itamar Berk Hess wrote: > > > >> From: "Berk Hess" <[EMAIL PROTECTED]> >> Reply-To: Discussion list for GROMACS users >> To: gmx-users@gromacs.org >> Subject: RE: [gmx-users] rotational fit in XY plane on

Re: [gmx-users] rotational fit in XY plane only

2007-05-02 Thread Itamar Kass
; <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users 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 To: Discussion l

Re: [gmx-users] rotational fit in XY plane only

2007-05-02 Thread Erik Marklund
2 maj 2007 kl. 15.13 skrev Berk Hess: From: "Berk Hess" <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users 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 &

Re: [gmx-users] rotational fit in XY plane only

2007-05-02 Thread Nguyen Hoang Phuong
Currently there is not. I would like to have that feature as well. can't you simply set all z-coordinates to zero and carry out a 3D fit as usual? (you may get a problem with mirror images, but the handedness is anyway not anymore uniquely defined once you project on 2D). I don't think so. I

RE: [gmx-users] rotational fit in XY plane only

2007-05-02 Thread Berk Hess
From: "Berk Hess" <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users 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

Re: [gmx-users] rotational fit in XY plane only

2007-05-02 Thread Bert de Groot
Berk Hess wrote: > > > >> From: Dr Itamar Kass <[EMAIL PROTECTED]> >> Reply-To: Discussion list for GROMACS users >> To: Discussion list for GROMACS users >> Subject: [gmx-users] rotational fit in XY plane only >> Date: Wed, 02 May 2007 19:44:1

RE: [gmx-users] rotational fit in XY plane only

2007-05-02 Thread Berk Hess
From: Dr Itamar Kass <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users To: Discussion list for GROMACS users 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 dur

[gmx-users] rotational fit in XY plane only

2007-05-02 Thread Dr Itamar Kass
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