Hi Sally,
Pls check if the file has some tabs in it. i had a similar problem. had to
replace the tabs with space in the prm files
On Wed, Feb 20, 2013 at 6:36 PM, Jason Swails <jason.swails.gmail.com>wrote:
> chamber is having trouble reading a force constant. Unfortunately there's
> no way of telling what line this failed on (and I'm not very familiar with
> CHARMM file formats).
>
> chamber is expecting the force constant to be the 3rd "word" on whatever
> line it is parsing from -- can you see an instance where this is not the
> case?
>
> On Tue, Feb 19, 2013 at 4:07 PM, Sally Pias <sallypias.gmail.com> wrote:
>
> > Hi everyone,
> >
> > I am getting an error from chamber when attempting to use the recently
> > updated CHARMM lipid parameters (par_all36_lipid.prm). My understanding
> > from following a previous thread in the Amber mailing list archive --
> > "Problem with CHAMBER (for RNA molecule)" -- is that a formatting quirk
> > within the par_all36_lipid.prm file might be involved. However, I have
> > been unable to identify the precise problem.
> >
> > Here is the specific error:
> > ...
> > <get_bonded_params> 28 found bond CTL2 OSLP 1.430 340.000
> > 9 15 15
> > <get_bonded_params> 31 found bond OSLP PL 1.600 270.000
> > 15 16 18
> > <get_bonded_params> 32 found bond O2L PL 1.480 580.000
> > 13 16 16
> > <get_bonded_params> 33 found bond OHL PL 1.590 237.000
> > 14 16 17
> > <get_bonded_params> 42 found bond CTL1 CTL2 1.538 222.500
> > 8 9 10
> > <get_bonded_params> 44 found bond CTL2 CTL2 1.530 222.500
> > 9 9 12
> > <get_bonded_params> 45 found bond CTL2 CTL3 1.528 222.500
> > 9 10 13
> > At line 643 of file psfprm.F90
> > Fortran runtime error: Bad value during floating point read
> >
> > Thanks in advance for any help!
> >
> > Sally
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Feb 20 2013 - 21:00:03 PST
