I am attempting to use CHAMBER to turn psf and charmm pdb files into Amber files. When I do this I get an error "at line 783 pf file _write_prmtop.f Fortran runtime error: Bad value during floating point read"
I looked this line up in the code and I believe it is a problem reading the CHARMM pdb file. I looked to see if someone else has had this problem but could not find this specific problem. Is it telling me that the structure (pdb structure) is bad??
I can use xleap to make prmtop and inpcrd without any problems.
Any information would be appreciated.
Thanks, Steve
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Received on Wed May 25 2011 - 10:30:04 PDT
