Yes. Very true. By bad.
_______________________________________________
Erik Marklund, PhD student
Laborarory 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
[EMAIL PROTECTED] http://xray.bmc.uu.se/molbiophys
On Wed, 17 Jan 2007, Tsjerk Wassenaar wrote:
Hi,
I would say trjconv -pbc cluster sounds more appropriate.
Cheers,
Tsjerk
On 1/17/07, Erik Marklund <[EMAIL PROTECTED]> wrote:
Neither do I, to be honest, but you can always do a trjconv -pbc
nojump or something similar on your trajectory prior to analysis, just to
be sure.
_______________________________________________
Erik Marklund, PhD student
Laborarory 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
[EMAIL PROTECTED] http://xray.bmc.uu.se/molbiophys
On Wed, 17 Jan 2007, singh wrote:
>
>
> Dear Gromacs users,
>
> I simulated 6 peptides in a cubical box. I want to calculate radius of
> gyration for all the peptides together (in order to get a rough idea
whether
> they are coming together or not). But I am not sure whether g_gyrate
takes
> into account Periodic boundary conditions while calculating radius of
> gyration for such a system.
>
>
>
> Regards,
>
> Gurpreet Singh
>
> -------------------------------------------------
>
> University of Dortmund
> Department of Chemistry
> Physical Chemistry I - Biophysical Chemistry
> Otto-Hahn Str. 6
> D-44227 Dortmund
> Germany
> Office: C1-06 room 176
> Phone: +49 231 755 3916
>
> Fax: +49 231 755 3901
>
> -------------------------------------------------
>
>
>
>
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the www interface
or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
