[gmx-users] NMR restrained MD

[Rama Krishna Koppisetti]

Hi Justin,

This is another type of error while running energy minimization:
what to do for these type of errors.

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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