sorted out problem

From: himanshu chandola (
Date: Fri Nov 14 2003 - 14:24:45 CST

hello everyone,
             i was getting one uninitialized coordinate for one of my
atoms in one of the ADP's of my protein of interest. This is how i sorted
it out :
As there are no H atoms referred to in the pdb file but there are H-H
bonds of different nature and also H-N bonds referred to in the parameter
file - psfgen was guessing the coordinates and in this process an
uninitialized atom at (0,0,0) was coming into the psf and pdb files.
What i did was(might be crude) - i deleted the H-H and H-N bonds in the
para file - and it solved my problem.

Thanks all for the help.

Morpheus: Do you believe in fate, Neo?
Neo: No.
Morpheus: Why Not?
Neo: Because I don't like the idea that I'm not in control of my life.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:08 CST