[gmx-users] Gcc

Fri Apr 21 11:42:57 CEST 2017

Plus, installing multiple version of the same software (e.g. gcc) is not
problematic at all *when done by someone that knows what he/she is doing*.
Furthermore, I completely disagree with Vytautas Rakeviius final advice. It
wouldn't cross anyone's mind to change OS in order to use a different gcc
version. That is ludicrous. I obviously don't recommend that an
inexperienced user should start compiling stuff blindly on their machine,
but that is just plain bad practice and impractical.

But I digress, this is not really GROMACS related.

A nice weekend to everyone!
João

On Fri, Apr 21, 2017 at 11:21 AM, João Henriques <
joao.m.a.henriques at gmail.com> wrote:

> 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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>> > > > > > *Rahul Suresh*
>> > > > > > *Research Scholar*
>> > > > > > *Bharathiar University*
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>> > > > *Research Scholar*
>> > > > *Bharathiar University*
>> > > > *Coimbatore*
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>> > *Research Scholar*
>> > *Bharathiar University*
>> > *Coimbatore*
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