[Openmd-users] Custom rigidBody and defining force field
Martin Vala
mvala at saske.sk
Wed Nov 26 22:12:26 EST 2014
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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