[Openmd-users] Custom rigidBody and defining force field

[Martin Vala]

Hi all,

i just notice that i didn't define rigid body in my previous 
configuration. I am attaching my updated config files. I am sorry for 
wrong configuration files.

Ciao

Martin

On 27.11.2014 11:37, Martin Vala wrote:
> Hi All,
>
> sorry i misstyped my rigid body. It is icosahedron
>
> Ciao
>
> Martin
>
> On 27.11.2014 11:12, Martin Vala wrote:
>> Dear OpenMD users,
>>
>> I would like to define my own rigid body with my own atoms (my custom 
>> atom is "My"). My rigid body is defined as icohexadral (in RB_My.md 
>> file - attached). I am also attaching RigidBody_01.md file.
>>
>> Problem:
>>
>> OpenMD FATAL ERROR:
>>         Can not find Matching Atom Type for[My_RB]
>>
>> I am guessing that "My_RB" atom type is not defined in 
>> $FORCE_PARAM_PATH/Amber.frc (in my RB_My.md, i have forceField = 
>> "Amber";). So i will have to define my own MyForceField.frc file (or 
>> i will update Amber.frc file),where i will define "My" atom and whole 
>> force field defined in my this rigid body (probably define atom atom 
>> "My" and its interactions with others, e.g. interaction between atom 
>> "My" and "My", "My" and others, and so). Is it right?
>>
>> If yes, then as first task, i would need to configure this rigid body 
>> to be fixed in its initial positions. Can you help me to set it up?
>>
>> Thank you very much
>>
>> Ciao
>>
>> Martin
>>
>>
>>
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>
>
>
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