[gmx-users] kalp-dppc tutoril (Justin tutorials)

Shima Arasteh shima_arasteh2001 at yahoo.com
Mon Oct 15 07:56:00 CEST 2012



Hi,
Go to GROMACS package in your system, in folder top/share, there you can find force field folders.


Sincerely,
Shima


________________________________
From: delara aghaie <d_aghaie at yahoo.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Sunday, October 14, 2012 4:42 PM
Subject: [gmx-users] kalp-dppc tutoril (Justin tutorials)

Dear Gromacs users,

Hello, I want to run the kalp-dppc simulation from Justin tutorials home page.in the step of modifying topology, we see:

Make a new directory in your working 
directory called "gromos53a6_lipid.ff" and copy the following files from gromos53a6.ff into it:

The question: where can I find access to gromos53a6.ff, to take the necessary files from it?

Thanks
Regards
D. M




________________________________
From: mohammad agha <mra_bu at yahoo.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Sunday, 14 October 2012, 10:21
Subject: [gmx-users] equilibrium

Dear Gromacs Users,

I have one system consists of: surfactant, solvent and additives. I made one box with only solvent and one box with only additives and equilibrated them little separable for better placing into the box, and then made one box with surfactant and then placed box of solvent and additives (that before I had equilibrated them separable) in the box of surfactant (by genbox) and equilibrated it totally. 

May I know that this work is correct or not, Please?
Best Regards
Sara

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