Dear all,

I have the intention to perform molecular dynamics (MD) simulation of carbon nanotubes (CNT) using Drude polarizable force field implemented in NAMD. I‌nitially, I used CHARMM-GUI to produce a solvated CNT inputs for NAMD using Nanomaterial Modeler in CHARMM-GUI. I can run the MD simulation (using non-polarizable FF) for this system. But as soon as I‌ use these inputs (.pdb & .psf files) to produce Drude-Prepper inputs for MD simulation of polarizable force field, I‌ receive a message mentioning CHARMM was terminated abnormally with the following error. It seems that the residue TUBE is not recognized. My question is that how it is recognized before (when performing MD with non-polarizable force field), but when it comes to polarizable FF the TUBE residue is not recognized?

Drude polarizability will be setup for SEGID: NM mass of Drudes particles = 0.4000 ***** ERROR in GENIC ***** Residue 'TUBE ' was not found.