All right.
Thank you
________________________________
From: Anirban <[email protected]>
To: Shima Arasteh <[email protected]>; Discussion list for GROMACS
users <[email protected]>
Sent: Friday, May 11, 2012 8:11 PM
Subject: Re: [gmx-users] Simulation of POPC in water using CHARMM27
On Fri, May 11, 2012 at 9:10 PM, Anirban <[email protected]> wrote:
>
>
>On Fri, May 11, 2012 at 7:36 PM, Shima Arasteh <[email protected]>
>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.
Its better to use CHARMM36 FF. It is more accurate towards the lipids and
available from the GROMACS user contribution section.
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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>
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