VMD-L Mailing List

From: Parisa Akhski (Parisa.Akhshi_at_chem.queensu.ca)
Date: Fri Sep 17 2010 - 16:17:11 CDT

Dear all,

In minimization of a DNA system, I started with a pdb file with the occupancy value equal to 1.0 for all atoms. However, the coordinate file (.coor) produced after minimization gives the occupancy equal to zero for all atoms. Does anyone have any idea why this happens? Is it OK to continue MD simulation with this output file?

Thanks,
Parisa