AMBER Archive (2002)

Subject: RE: Roar 2.1 with Amber7

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Apr 10 2002 - 00:48:43 CDT

Dear Soonmin

> I was trying to run roar with amber7 but I got following
> error message.
>
> cqd1[temp3] 1> roar -i run.in -p met.parm -c restrt.min
> ? FORTRAN Runtime Error:
> ? Attempt to read past end of file
> ? READ(UNIT=5,...
> cqd1[temp3] 1>
>
> Here is my input file "run.in".
>
> cqd1[temp3] 1> more run.in
> &cntrl
> ntb=0, igb=0, ig=23326, ntcm=1, nscm=5000,
> imin=0, irest=0, ntx=1,
> ntorp=2, nchain=1, mtstat(1)=2, nc=1,
> tempi=300.0, ntt=1, temp0=300.0,
> nstlim=5000000, dt=0.001,
> ntwe=500, ntwx=500, ntpr=1000,
> &end

I suspect your problem stems from your input file. You have a trailing
comma after the ntpr=1000 which means roar is looking for further
variables after this one but instead gets to the end of the file, hence
the error.

Remove the comma so the last line reads

  ntwe=500, ntwx=500, ntpr=1000
 &end

And try again.

All the best
Ross