[gmx-users] NMR restrained MD

[Rama Krishna Koppisetti]

Hi Justin,

It is which part in the force field. Exactly which file I have to look to
overcome this errors.

Thanks
--Rama


On Tue, Sep 10, 2013 at 8:25 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 9/10/13 9:21 AM, Rama Krishna Koppisetti wrote:
>
>> Hi Justin,
>>
>> This is another type of error while running energy minimization:
>> what to do for these type of errors.
>>
>>
> They're exactly the same as the dihedral error from before.  You're using
> parameters that don't exist in the force field.
>
> -Justin
>
>  ERROR 218 [file topol.top, line 23487]:
>>    No default Ryckaert-Bell. types
>>
>>
>> ERROR 219 [file topol.top, line 23499]:
>>    No default Ryckaert-Bell. types
>>
>>
>> ERROR 220 [file topol.top, line 23500]:
>>    No default Ryckaert-Bell. types
>>
>>
>> ERROR 221 [file topol.top, line 23501]:
>>    No default Ryckaert-Bell. types
>>
>>
>> ERROR 222 [file topol.top, line 23502]:
>>    No default Ryckaert-Bell. types
>>
>>
>> ERROR 223 [file topol.top, line 23503]:
>>    No default Ryckaert-Bell. types
>>
>>
>> ERROR 224 [file topol.top, line 23515]:
>>    No default Ryckaert-Bell. types
>>
>>
>> --Rama
>>
>>
>> On Mon, Sep 9, 2013 at 5:16 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
>>
>>
>>>
>>> On 9/9/13 6:11 PM, Rama Krishna Koppisetti wrote:
>>>
>>>  Hi Justin,
>>>>
>>>> I included 1 DMPC molecule parameters in the file should I need to
>>>> include
>>>> 128 molecules parameters in the file .rtp.
>>>>
>>>>
>>>>  No.  Residue definitions are used any time they are encountered in the
>>> coordinate file.  There is no need for such redundancy at the force field
>>> level.
>>>
>>>
>>> -Justin
>>>
>>> --
>>> ==============================****====================
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>>> Justin A. Lemkul, Ph.D.
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> --
> ==============================**====================
>
> 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
>
> ==============================**====================
> --
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