VMD-L Mailing List

From: lily jin (lily1907_at_yahoo.com)
Date: Thu Mar 15 2007 - 15:23:32 CDT

Hi, My protein was in a waterbox during simulation. I want to removed the waterbox when I analyze the results. I saved a dcd file without water. The atom number is 51353. Then I use AutoPSF plugin to generate a PSF file without water. However, the genrated PSF and PDB files include 51380 atoms. What makes the difference? What can I do to make them match? Thank you! Lily ____________________________________________________________________________________ 8:00? 8:25? 8:40? Find a flick in no time with the Yahoo! Search movie showtime shortcut. http://tools.search.yahoo.com/shortcuts/#news