AMBER Archive (2001)

Subject: Re: problem with ambpdb

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Oct 03 2001 - 03:16:23 CDT

        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

------------------------------------------------------------
# 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
------------------------------------------------------------