does it go away if you use a different rst file?
unit 9 is indeed the inpcrd file
On Thu, May 5, 2011 at 6:35 PM, Jagur Lambix <jagurlambix.yahoo.com> wrote:
> Dear Amber Users,
>
> I am writing once more, as I didn't get any response to my previous posting
> about the "forrtl: severe (64): input conversion error".
>
>
>
>
> I am doing some calculation using the sander of Amber 11. In the mean time
> I got
>
> the following message.
>
>
> forrtl: severe (64): input conversion error, unit 9, file
> /gpfs1/u/ac/jl/TT_com.rst
> Image PC Routine Line Source
> sander.MPI 0000000000FB477D Unknown Unknown Unknown
> sander.MPI 0000000000FB3285 Unknown Unknown Unknown
> sander.MPI 0000000000F5AD20 Unknown Unknown Unknown
> sander.MPI 0000000000EFA62F Unknown Unknown Unknown
> sander.MPI 0000000000EF9E62 Unknown Unknown Unknown
> sander.MPI 0000000000F21793 Unknown Unknown Unknown
> sander.MPI 00000000004F49CC Unknown Unknown Unknown
> sander.MPI 00000000004A9E48 Unknown Unknown Unknown
> sander.MPI 00000000004A8629 Unknown Unknown Unknown
> sander.MPI 000000000040F8CC Unknown Unknown Unknown
> libc.so.6 00002B820A6F9BC6 Unknown Unknown
> Unknown
> sander.MPI 000000000040F7C9 Unknown Unknown Unknown
>
>
> I checked the RST file (TT_com.rst) I have used, but I didn't find any
> unusual
> coordinates or ****** mark in it.
>
> I am NOT sure, what is going wrong with it. I have used the following input
> file
>
> in my calculation.
>
> Equilibration
> &cntrl
> irest=0, ntx=1,
> nstlim=250000, dt=0.002,
> irest=0, ntt=3, gamma_ln=1.0,
> temp0=269.5, ig=7659,
> ntc=2, ntf=2, nscm=1000,
> ntb=0, igb=5,
> cut=999.0, rgbmax=999.0,
> ntpr=500, ntwx=500, ntwr=100000,
> nmropt=1,
> /
> &wt TYPE='END'
> /
> DISANG=TT_chir.dat
>
> Please let me know, how to overcome this.
>
> Thanks in advance for your suggestions.
>
> Jagur
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Received on Thu May 05 2011 - 16:00:05 PDT
