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

delara aghaie d_aghaie at yahoo.com
Sun Oct 14 15:12:37 CEST 2012


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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