[gmx-users] Martini

[dina dusti]

Thank you very much from your response.

Best Regards
Dina



________________________________
 From: Dariush Mohammadyani <d.mohammadyani at gmail.com>
To: dina dusti <dinadusti at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Friday, March 9, 2012 1:05 AM
Subject: Re: [gmx-users] Martini
 

I think I made a mistake:
 
Aniline: SC4 -SC4 - SNd
Pyrrole: SC4 -SNd
Tiofen: SC4 - SC5
 
I am not sure...
 

 
On Thu, Mar 8, 2012 at 3:24 PM, dina dusti <dinadusti at yahoo.com> wrote:

Dear Dariush, 
>
>
>
>Thank you very much from your response.
>Then you tell me that the definition of aniline and pyrrole, is correct?
>Is your mean about SC5 for tiofen means that it is defined as SC4 and SC5 for tiofen? indeed I had doubt about this definition because S is without H in tiofen.
>
>May I know your cause for this definition, Please?
>
>
>Best Regards
>Dina
>
>
>________________________________
> From: Dariush Mohammadyani <d.mohammadyani at gmail.com>
>To: dina dusti <dinadusti at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org> 
>Sent: Thursday, March 8, 2012 11:24 PM
>Subject: Re: [gmx-users] Martini
> 
>
>SC5 does not work?
>
>Dariush
> 
>--
>Kind Regards,
>Dariush Mohammadyani
>Department of Structural  Biology
>University of Pittsburgh School of Medicine
>Biomedical Science  Tower 3
>3501 Fifth Avenue
>Pittsburgh, PA 15261
>USA
>
>
>
> 
>On Thu, Mar 8, 2012 at 2:34 PM, dina dusti <dinadusti at yahoo.com> wrote:
>
>Dear Gromacs Specialists,
>>
>>
>>May I ask you to help me for definition of pyrrole, tiofen and aniline in MARTINI coarse-grained force field, Please?
>>I defined them as following:
>>aniline (one benzene ring+NH2) = SC4, SC4, SNd
>>pyrrole (one aromatic ring consists of 4 carbon and one NH) = SC4, SP1
>>tiofen (one aromatic ring consists of 4 carbon and one S) = ???
>>May I ask you to tell me your idea about these molecules, Please?
>>
>>
>>Thank you in advance.
>>Best RegardsDina
>>
>>
>>
>>--
>>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
>>
>
>
>
>
>
>--
>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
>


-- 

Kind Regards,
Dariush Mohammadyani
Department of Structural 
Biology
University of Pittsburgh School of Medicine
Biomedical Science 
Tower 3
3501 Fifth Avenue
Pittsburgh, PA 15261
USA
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120308/3c1e6a0e/attachment.html>