[gmx-users] Simulation of POPC in water using CHARMM27

[Anirban]

On Fri, May 11, 2012 at 9:10 PM, Anirban <reach.anirban.ghosh at gmail.com>wrote:

>
>
> On Fri, May 11, 2012 at 7:36 PM, Shima Arasteh <
> shima_arasteh2001 at 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.
>>
>
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
>>
>> --
>> gmx-users mailing list    gmx-users at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>> Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>> Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-users-request at gromacs.org.
>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120511/a5ef608f/attachment.html>