From: snoze pa (snoze.pa_at_gmail.com)
Date: Fri Oct 22 2010 - 15:46:34 CDT
Dear Name users,
I am trying to run a namd simulation using a model pdb structure.
Some of the residues in my Model PDB file are missing.. When I run
NAMD, the I get error message for the residue just before the missing
residues. ERROR:
Constraint failure in RATTLE algorithm for atom 99!
ERROR: Constraint failure; simulation has become unstable.
ERROR: Constraint failure in RATTLE algorithm for atom 148!
ERROR: Constraint failure; simulation has become unstable.
I will highly appreciate your help.
Thank you
S
ps: There is no error message from VMD when creating psf and pdb files.
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