Hi Steve
> 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"
It would be helpful to see the pdb file, the psf and top and par files as
well as the exact command line you are giving to Chamber.
Also, how did you make the pdb file? Often it is best to process the pdb
file through charmm and then have it write a pdb and use that pdb.
Alternatively why not try using the charmm coordinate file? - You can write
one of those at the same time you write the psf.
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Wed May 25 2011 - 11:00:02 PDT
