When I run ambpdb to convert restrt file to pdb file, it produces lot of
unknown ATOM.
The pdb has lots of non-ascii characters. I believe ambpdb may be
unable to handle the 71K atoms involved. I was able to run carnal
ok, and produced what looks like an ok pdb.
Bill Ross
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# carnal.in for restrt/mdcrd->pdb
FILES_IN
PARM p1 prmtop.wat;
STREAM s1 min.xyz;
FILES_OUT
COORD c1 p.p PDB;
DECLARE
OUTPUT
COORD c1 s1;
END
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Received on Wed Oct 03 2001 - 01:16:23 PDT
