[AMBER] Problem regarding Chamber

From: Shubhadip Das <d.shubhadip.yahoo.com>
Date: Sun, 26 Oct 2014 21:28:54 -0700

Dear Users,
  I would like to convert my psf file generated by VMD (psfgen) to
  amber style format. I am using AMBER12 with AmberTools 14.
  Unfortunately, I obtained the following error:
  

===========================================================
          PSF input parsing summary
===========================================================

                        Number of PSF flags found: 1

                            Number of atoms
 found: 24
                         Number of residues found: 1

                            Number of bonds found: 24
                           Number of angles found: 42
                        Number of dihedrals found: 54
                        Number of impropers found: 0

                           Number of donors found: 0
                        Number of acceptors found: 0
    Number of explicit nonbonded exclusions found: 0

                           Number of groups found: 0
                       Number of ST2 waters found: 0

===========================================================

At line 292 of file psfprm.F90
Fortran runtime error: Bad value during integer read

I have attached here my psf (my_mol.psf) file.

Please advise.Thanks in advance.



Shubhadip Das
Phd Research Scholar
Depeartment of Chemistry
IIT Guwahati

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Received on Sun Oct 26 2014 - 21:30:02 PDT
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