[gmx-users] NMR restrained MD

[Rama Krishna Koppisetti]

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
>
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