From: Vidhya Sankar (vidhyasankar7928_at_yahoo.com)
Date: Sat Apr 14 2012 - 01:28:27 CDT
Dear Namd user ,
I am
beginner of Namd when i run .pgn file in VMD terminal i got the
following error could any one help me to solve the errror or at least
pontout previous discussion of same error in the namd mailing list
duplicate residue key 142
ERROR: failed on residue ALA from pdb file
duplicate residue key 143
ERROR: failed on residue HIS from pdb file
duplicate residue key 144
ERROR: failed on residue LYS from pdb file
duplicate residue key 145
ERROR: failed on residue TYR from pdb file
duplicate residue key 146
ERROR: failed on residue HIS from pdb file
unknown
residue type HEM
extracted 1149 residues from pdb file
Info: generating structure...
unknown residue type HEM
ERROR: failed on end of segment
MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
Thanks in advance
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