[gmx-users] Regarding creation of mixture of molecules..

[Dilip H N]

couldnt get u mark..
can u kindly elaborate it..in detail..kindly..




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On Mon, Feb 20, 2017 at 12:25 AM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> You choose a suitable force field, use the tools that suit it to generate a
> topology and/or parameters. Then make a mixture using any of various
> techniques, including the one google will find on the Gromacs webpage. Then
> make sure all the residue naming and atom ordering matches - but this is
> the easiest part!
>
> Mark
>
> On Sun, 19 Feb 2017 10:21 Dilip H N <cy16f01.dilip at nitk.edu.in> wrote:
>
> how can i create a mixture of molecules in avogadro software and save it as
> .pdb
> ex. mixture of ammonia and water...
> and wht r the residues for ammonia and water...?
> and wht r the forcefeild tht i need tto search these mixtures..??
> Or create a mixture using any other software..?
> and get the proper residue to create a topology file in gromacs
>
>
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>
> On Fri, Feb 17, 2017 at 4:27 PM, Dilip H N <cy16f01.dilip at nitk.edu.in>
> wrote:
>
> > how can i create a mixture of molecules in avogadro software and save it
> > as .pdb
> > ex. mixture of ammonia and water...
> > and wht r the residues for ammonia and water...?
> > and wht r the forcefeild tht i need tto search these mixtures..??
> >
> > --
> > With Best Regards,
> >
> > DILIP.H.N
> > Research Scholar,
> > Department of Chemistry, NITK.
> >
> >
> >
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> >
>
>
>
> --
> With Best Regards,
>
> DILIP.H.N
> Research Scholar,
> Department of Chemistry, NITK.
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-- 
With Best Regards,

DILIP.H.N
Research Scholar,
Department of Chemistry, NITK.