From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Tue Aug 01 2006 - 01:36:04 CDT
i want to do LES on my protein. but its PDB file has missing atoms for
some residue. if i am generating PSF file through psfgen then does psfgen
also guess the coordinates of these missing atoms and if yes then how
reliable these guessed coordinates
are? is there anyway to tell psfgen, not to include these missing atoms?
thank you in advance for help.
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211 Ph. no. 001-573-639-0153
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