[gmx-users] Reg. g_density

[Jagan Mohan]

hello Tsjerk,
thanks for the reply... the syntax of g_density is such that we need to
provide a tpr file right... is there a way of doing it without the tpr...
and also from where are the radii of the atoms read for calculation of the
volume... or is the volume calculated differently...
thanks in advance

Regards,
Jagan

On Sat, Jun 6, 2009 at 3:10 PM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> Hi Jagan,
>
> If you provide a .tpr file, the masses will be read from there.
> Otherwise, when providing a .gro/.pdb file or so, masses will be read
> from the file atommass.dat in the GMX library directory.
>
> Cheers,
>
> Tsjerk
>
> On Sat, Jun 6, 2009 at 11:25 AM, Jagan Mohan<o.jagan at gmail.com> wrote:
> > Hey everyone,
> > I would like to know from where does the g_density read the masses and
> radii
> > of atoms to calculate the density... We do provide a tpr file but from
> where
> > does it refer to and add these masses... I have a system for which i have
> a
> > topology... i use this for the generation of tpr but will the masses be
> > considered from this topology... Please do help me out...
> >
> > Thanks in advance
> >
> > Regards,
> > Jagan
> >
> > _______________________________________________
> > gmx-users mailing list    gmx-users at gromacs.org
> > http://lists.gromacs.org/mailman/listinfo/gmx-users
> > Please search the archive at http://www.gromacs.org/search before
> posting!
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> > 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    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>



-- 
-{[O]}-
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090606/a6b63b43/attachment.html>