From: Anirban Ghosh (
Date: Tue Nov 11 2008 - 07:17:04 CST

Hi ALL, I am trying to build a RBCG model of a 3-chain protein solvated in water. For that I am separately building the CG models for the protein and water and then trying to combine them using a psfgen script to generate the final CG PDB and PSF files. However VMD is not building all the water CG beads and showing an error "Duplicate entries" and in the final CG PDB many water CG beads are missing leaving huge voids inbetween. My water box contains around 16000 CG beads but the final structure along with the protein has only around 7000 water CG beads. Please suggest a solution. I am using VMD 1.8.7. alpha version. Thanks. Regards, Anirban Ghosh M.Tech Bioinformatics University of Hyderabad Be the first one to try the new Messenger 9 Beta! Go to