psfgen warnings

From: Vidhya Sankar (vidhyasankar7928_at_yahoo.com)
Date: Sun Apr 15 2012 - 01:27:14 CDT

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Dear Namd user                   i have created the psfgen using Autopsfbuilder  while i create i got warnings like this  Info: guessing coordinates for 8784 atoms (8 non-hydrogen) Warning: poorly guessed coordinates for 71 atoms (8 non-hydrogen): Warning: poorly guessed coordinate for atom HT1     VAL:1      P1 Warning: poorly guessed coordinate for atom HT2     VAL:1      P1 Warning: poorly guessed coordinate for atom HT3     VAL:1      P1 Warning: poorly guessed coordinate for atom HG2     PRO:4      P1 Warning: poorly guessed coordinate for atom HG2     PRO:37      P1 Warning: poorly guessed coordinate for atom HG2     PRO:77      P1 Warning: poorly guessed coordinate for atom HG2     PRO:95      P1I ignore the warnings and run the simulation i got Constraint failure in RATTLE algorithm for atom 13596! and simulation become unstable  please assist me in avoiding the Warning  I am using Different topology file to construct psfgen files Every time shows same error (Warning: poorly guessed coordinate for atom HT1     VAL:1      P1) 

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