Dear Anirban,
No, I have not done. Because I didn't know I need Berger lipids for this
simulation.
Thanks for you reply,
Cheers,
Shima
________________________________
From: Anirban <reach.anirban.gh...@gmail.com>
To: Shima Arasteh <shima_arasteh2...@yahoo.com>; Discussion list for GROMACS
users <gmx-users@gromacs.org>
Sent: Friday, May 11, 2012 8:10 PM
Subject: Re: [gmx-users] Simulation of POPC in water using CHARMM27
On Fri, May 11, 2012 at 7:36 PM, Shima Arasteh <shima_arasteh2...@yahoo.com>
wrote:
Dear gmx users,
>
>
>I'm going to simulate the POPC in water.
>I downloaded required files in Tielman site and made the .top file. Then
>included the CHARMM27.ff in the .top file.
>When I run the grompp I get the fatal error as below:
>Atomtype CB not found
>
>
>
>I have done the same with gromos87.ff . But I didn't see any error.
>What's the problem?
>Anybody may suggest me how to solve this problem? Is this because of the
>forcefield? Or something in .top file goes wrong?
>
>
Have properly edited the CHARMM27 bonded and nonbonded .itp files to include
the Berger lipid parameters and have you included the POPC topology? You can
follow this tutorial to get an idea:
https://sites.google.com/site/anirbanzz/gpcr-gromacs-tutorial
-Anirban
Thanks,
>Shima
>
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