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

Dilip H N cy16f01.dilip at nitk.edu.in
Sun Feb 19 10:21:03 CET 2017


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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> <https://mailtrack.io/install?source=signature&lang=en&referral=cy16f01.dilip@nitk.edu.in&idSignature=22>
>



-- 
With Best Regards,

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


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