Frozen atoms from fix deposit

Hello,

I am using fix deposit to insert atoms into my system, but the new atoms are frozen in place after insertion.

I have verified that the new atoms are showing up in the intended region, and that they are of the same type as pre-existing atoms that are interacting fine with their defined pair styles. However, for the newly-deposited atoms, there appears to be a lack of pairwise interaction and/or velocity updates.

Do you have any pointers on why this may be occurring?

I am suspecting this may be caused by a mix of single-site atoms and multi-site rigid bodies, and/or a system-wide hybrid/overlay pair style (eam and lj/cut/coul/long), but I am not entirely sure what is causing this or where to begin troubleshooting.

Thank you,
Anne

Please check the fix group ID for your deposit fix and the corresponding time integration fix(es). Are the deposited atoms included into a suitable group?

Axel.

Thank you Axel, I realized this was from fix nve having been set to an initially-static group based on the atom type. It works after changing to a dynamic group. [meant to reply-all earlier]

Anne

Thank you Axel, I realized this was from fix nve having been set to an initially-static group based on the atom type. It works after changing to a dynamic group. [meant to reply-all earlier]

a dynamic group should not be necessary. please see the example inputs in the examples/deposit folder. they don’t use dynamic groups.
only the temperature compute needs to be instructed to consider a changing number of DOFs.

axel.