Modifying a DRUDE pdb file and producing a new psf file

Date: Wed Sep 01 2021 - 11:25:17 CDT

Hey All!
I have an old drude simulation and its relevant xplor file. Everything in this simulation works as expected, I am implementing the correct topologies and get good output files. However we want to add ions to this system and cannot rebuild the system in charmm as we do not have the original pdb files anymore used to generate that specific build. It is a membrane system with 17 chloride ions in SWM4. How would I go about adding in new ions ,to this DRUDE system, and then export a new DRUDE psf file.

I attempted to add ions and vmd told me that it wasnt solvated and does not seem to be recognizing swm4 as a water molecule.


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