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[lammps-users] Fwd: Moltemplate Execution
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[lammps-users] Fwd: Moltemplate Execution


From: "R. Varsha" <varsharani.0909@...24...>
Date: Wed, 27 Sep 2017 03:58:53 +0530

---------- Forwarded message ----------
From: "R. Varsha" <varsharani.0909@...24...>
Date: 22 Sep 2017 13:55
Subject: Moltemplate Execution
To: "LAMMPS Users Mailing List" <lammps-users@...371...et>
Cc:

Hello all,

I wanted to create lammps data file for spc/e water model with ions via moltemplate.
When I executed this for small no. of water molecules I found some errors in system.lt file. (snapshot has attached as 22 sept.png).

And one another issue I am facing that is for large no. of water molecules (2089) the file generation is with held from 2 hours. It is not progressing further. (22sept 41.png)

Please help me in this regard.


Thanks.


Regards
Varsha

Attachment: 22sept.png
Description: PNG image

Attachment: 22sept 41.png
Description: PNG image