[gmx-users] Gcc

[João Henriques]

You have (at the very least) three solutions regarding the movie:

[1] Use gmx trjconv (see
http://manual.gromacs.org/documentation/5.1.4/onlinehelp/gmx-trjconv.html) to
generate a PDB file with the desired trajectory frames. Load and play it in
PyMOL et voilà!

[2] Install the GROMACS plugin for PyMOL, which will allow you (among other
things) to directly read the trajectory files without having to resort to
gmx trjconv (see https://pymolwiki.org/index.php/GROMACS_Plugin).

[3] Use VMD which can read GROMACS trajectory output files straight out of
the box (see http://www.ks.uiuc.edu/Research/vmd/).

For details regarding gmx trjconv please read the documentation. It is
fairly trivial and only you know exactly what system you have at hand. Some
options will vary depending on that.

- - -

Regarding gcc, depending on your operating system you can either use a
package manager to install the desired version of gcc or compile it
yourself. After installing it don't forget to make sure GROMACS knows where
to search for it, using the -DCMAKE_C_COMPILER=/path/to/gcc flag when
running cmake (and probably also -DCMAKE_CXX_COMPILER=/path/to/c++). These
paths are obviously fictitious and need to be changed with the right ones.

Best regards,
João

On Fri, Apr 21, 2017 at 10:47 AM, Anshul Lahariya <
anshullahariya17 at gmail.com> wrote:

> okkk. it's fine...
>
>
> On Fri, Apr 21, 2017 at 1:06 PM, RAHUL SURESH <drrahulsuresh at gmail.com>
> wrote:
>
> > I am out
> > Can I say that to u on Monday.) ?
> > On Fri, 21 Apr 2017 at 10:28 AM, Anshul Lahariya <
> > anshullahariya17 at gmail.com>
> > wrote:
> >
> > > yes rahul, i use pymol but dont know how to make movie
> > >
> > >
> > > On Fri, Apr 21, 2017 at 10:09 AM, RAHUL SURESH <
> drrahulsuresh at gmail.com>
> > > wrote:
> > >
> > > > You must use pymol
> > > >
> > > >
> > > > On Fri, 21 Apr 2017 at 6:35 AM, Anshul Lahariya <
> > > > anshullahariya17 at gmail.com>
> > > > wrote:
> > > >
> > > > > thanks rahul
> > > > >
> > > > >
> > > > > and how to make md movie for 5ns by command.??
> > > > >
> > > > >
> > > > > On Thu, Apr 20, 2017 at 5:54 PM, RAHUL SURESH <
> > drrahulsuresh at gmail.com
> > > >
> > > > > wrote:
> > > > >
> > > > > > Yum apt-get gcc version
> > > > > > Yum update
> > > > > > Yum upgrade
> > > > > > Yum install
> > > > > >
> > > > > >
> > > > > > On Thu, 20 Apr 2017 at 5:23 PM, Mark Abraham <
> > > mark.j.abraham at gmail.com
> > > > >
> > > > > > wrote:
> > > > > >
> > > > > > > Hi,
> > > > > > >
> > > > > > > That's a good question for google or the forums of your
> operating
> > > > > system,
> > > > > > > not here. :-)
> > > > > > >
> > > > > > > Mark
> > > > > > >
> > > > > > > On Thu, 20 Apr 2017 12:42 Anshul Lahariya <
> > > > anshullahariya17 at gmail.com>
> > > > > > > wrote:
> > > > > > >
> > > > > > > > hello,
> > > > > > > >
> > > > > > > > I want to change my gcc and want to install gcc version later
> > > than
> > > > 5.
> > > > > > > > what can i do so i can change the version of gcc to gcc-4.9.4
> > > > > > > > --
> > > > > > > > Gromacs Users mailing list
> > > > > > > >
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> > > > > > *Research Scholar*
> > > > > > *Bharathiar University*
> > > > > > *Coimbatore*
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> > > > --
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> > > > *Rahul Suresh*
> > > > *Research Scholar*
> > > > *Bharathiar University*
> > > > *Coimbatore*
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> > *Research Scholar*
> > *Bharathiar University*
> > *Coimbatore*
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