HI All,
I tried to run chamber for RNA duplex. i could not make it run, got the
same error as stated above. attaching the error and files,script used .
bergy.new:~/chamber$ chamber -top top_all27_na.rtf -param
par_all27_na.prm -psf out.psf -crd out.pdb -p out.prmtop -inpcrd
out.inpcrd -nocmap
| *****************************************************
| * CHAMBER: Charmm psf to AMBER prmtop convertor *
| * *
| * v1.0 *
| * *
| * Written by: *
| * Mark J. Williamson *
| * Michael F. Crowley *
| * Ross C. Walker *
| * *
| *****************************************************
===========================================================
PSF input parsing summary
===========================================================
Number of PSF flags found: 1
Number of atoms found: 2113
Number of residues found: 66
Number of bonds found: 2277
Number of angles found: 4073
Number of dihedrals found: 6067
Number of impropers found: 166
Number of donors found: 199
Number of acceptors found: 561
Number of explicit nonbonded exclusions found: 0
Number of groups found: 265
Number of ST2 waters found: 0
===========================================================
--- Found all ATOM TYPES in topology file
--- Found all nonbond parameters
At line 893 of file psfprm.F90
Fortran runtime error: Bad value during floating point read
On Tue, May 8, 2012 at 4:41 PM, Mark Williamson <mjw.mjw.name> wrote:
> On 03/05/12 16:16, Sean Law wrote:
> >
> > This is as far as I have reached without digging into the CHAMBER source
> code so any suggestions, comments, or hints would be greatly appreciated.
> > Thank you for your time.
> > Sean
>
> Dear Sean,
>
> Please can you prepare a test case containing all the input files, a
> script executing the relevant commands to reproduce what you see and
> then tar+bzip2 all this up into a .tar.bz2 file. Finally, can you email
> it to me offlist so that I can reproduce the problem and then attempt to
> debug it.
>
> Thanks,
>
> Mark
>
>
>
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Received on Fri Jun 29 2012 - 00:30:02 PDT
