[AMBER] "Bad value during floating point read" of processing dihedral using chamber

From: baogen duan <dbaogen.gmail.com>
Date: Fri, 19 Oct 2012 20:56:57 +0800

Dear Amber users and developers:

                 when I use "chamber" program to convert psf and pdb files
to inpcrd and prmtop files, it gives an error message "Bad value during
floating point read ". The command is:

          * chamber \
             -top top_all27_prot_na_mod.inp \
             -param par_all27_prot_na.prm\
             -psf no_solvent_ion_chm_1.psf -nocmap\
             -crd no_solvent_ion.pdb \
             -p prmtop \
             -inpcrd inpcrd -verbose*
the stdout gives following message:

 * PSF input parsing summary
* Number of PSF flags found: 1*
* Number of atoms found: 14987
                         Number of residues found: 917*
* Number of bonds found: 15228
                           Number of angles found: 27554
                        Number of dihedrals found: 40327
                        Number of impropers found: 2434*
* Number of donors found: 0
                        Number of acceptors found: 0
    Number of explicit nonbonded exclusions found: 0*
* Number of groups found: 1
                       Number of ST2 waters found: 0*
* --- Found all ATOM TYPES in topology file*
* --- Found all nonbond parameters
At line 847 of file _psfprm.f
Fortran runtime error: Bad value during floating point read*
and the last several lines of output file using ' -verbose' option are

*Processing dihedral type number:
                           type: ON6B     CN7      CN8B
 Has it already been assigned?
 Selecting parameter from param
                           type: HN8      CN8B     CN7
       periodicity,height,phase:        1  0.195
 Is this selected parameter a wildcard?
 **Assigning this
 Currently assigned
       periodicity,height,phase:        1  0.195
Finished processing dihedral type number:  198*
at line 847 of _psfprm.f which is to read the parameter of dihedral. From
the output file, it seems that chamber can process diheral information. So
I don't understand the occurred error message. Would you like to give me
some help? Thank you very much!
Yours Sincerely,
Duan Baogen
Beijing Computational Science Research Center
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Received on Fri Oct 19 2012 - 06:00:05 PDT
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