[gmx-users] NMR restrained MD

Rama Krishna Koppisetti ramkishna72 at gmail.com
Wed Sep 11 16:06:35 CEST 2013


Those lines are related to DMPC lipid dihedrals.

-_Rama




On Wed, Sep 11, 2013 at 8:17 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 9/11/13 9:05 AM, Rama Krishna Koppisetti wrote:
>
>> Hi Justin,
>>
>> Should I use R-B dihedrals for DMPC lipids rather  than periodic
>> dihedrals.
>>
>>
> You should use whatever the force field tells you.
>
>
>  I'm getting an Error message like,
>>
>> ERROR 18815 [file topol.top, line 54180]:
>>    No default Ryckaert-Bell. types
>>
>>
>> ERROR 18816 [file topol.top, line 54181]:
>>    No default Ryckaert-Bell. types
>>
>>
> What are the dihedrals on these lines?
>
>
> -Justin
>
> --
> ==============================**====================
>
> Justin A. Lemkul, Ph.D.
> Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.**edu <jalemkul at outerbanks.umaryland.edu> | (410)
> 706-7441
>
> ==============================**====================
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users>
> * Please search the archive at http://www.gromacs.org/**
> Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists>
>



More information about the gromacs.org_gmx-users mailing list