[gmx-users] NMR restrained MD

[Rama Krishna Koppisetti]

Hi Justin,

I included 1 DMPC molecule parameters in the file should I need to include
128 molecules parameters in the file .rtp.


Thanks
--Rama


On Mon, Sep 9, 2013 at 4:43 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 9/9/13 5:37 PM, Rama Krishna Koppisetti wrote:
>
>> Hi Justin,
>>
>> I merge two molecules as a single molecule type. Now I'm trying to do
>> energy minimization of the system, getting errors like
>>
>> Fatal error: [file topol.top, line 55130]:
>>    No default Proper Dih. types
>>
>> Any idea for this type of errors.
>>
>>
> The force field does not have parameters for whatever dihedral is listed
> on line 55130 in the topology.
>
> -Justin
>
>
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