VMD-L Mailing List

From: Surendra Negi (negi_at_curie.utmb.edu)
Date: Thu Oct 28 2004 - 20:07:14 CDT

Hi I am getting following error when I am using my New Linux Machine
PSFGEN from NAMD 2.5 for Linux-i686
reading topology file toppar/top_all22_prot.inp

>>>>>>>>CHARMM22 All-Hydrogen Topology File for Proteins <<<<<<
>>>>>>>>>>>>>>>>>>>>> August 1999 <<<<<<<<<<<<<<<<<<<<<<<<<<<<<
>>>>>>> Direct comments to Alexander D. MacKerell Jr. <<<<<<<<<
>>>>>> 410-706-7442 or email: alex,mmiris.ab.umd.edu <<<<<<<<<

Created by CHARMM version 27 1
duplicate residue key LEU will be ignored
aliasing residue HIS to HSD
aliasing residue ILE atom CD1 to CD
aliasing residue GLY atom OXT to OT1
building segment TBE
reading residues from pdb file 1TBE_chainA.pdb
unknown residue type MET
unknown residue type PHE
unknown residue type VAL
unknown residue type LYS
unknown residue type THR
unknown residue type THR
unknown residue type LYS
unknown residue type THR
unknown residue type THR
unknown residue type VAL
unknown residue type PRO
unknown residue type SER
unknown residue type THR
unknown residue type VAL
unknown residue type LYS
unknown residue type LYS
unknown residue type LYS
unknown residue type PRO
unknown residue type PRO
unknown residue type PHE
unknown residue type LYS
unknown residue type THR
unknown residue type SER
unknown residue type TYR
unknown residue type LYS
unknown residue type SER
unknown residue type THR
unknown residue type VAL
extracted 76 residues from pdb file
Info: generating structure...
unknown residue type MET
ERROR: failed on end of segment
MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
    while executing
"segment TBE { pdb 1TBE_chainA.pdb }"
    (file "1tbe_psfgen.in" line 6)