AMBER Archive (2005)

Subject: Re: AMBER: error during MD run

From: Rajeev Ranjan Singh (rrsingh_at_andrew.cmu.edu)
Date: Wed May 18 2005 - 13:16:12 CDT

Ok.. once again but this time I am sure .. At least one problem is that you
have written "tempo" it is "temp0" i.e. tempZERO
hope it will help
rajeev

--On Thursday, May 19, 2005 12:09 AM +0530 cbala_at_igib.res.in wrote:

>
> I am practising the tutorial (Poly AT 10 mer simulation)given in the
> amber website.
>
> I hve carefully followed the instruction given in the website.
>
> THE FOLLOWING IS THE INPUT FILE I CREATED ie AT-vac-md1-12cut.in to give
> to MD run
> -------------------------------------------------------------------------
> ----
>
>
> 10 m10 mer DNA MD in-vacuo, 12 angstrom cut off
> &cntrl
> imin = 0,ntb = 0,
> igb = 0, ntpr = 100, ntwx= 100,
> ntt = 3, gamma_ln = 1.0,
> tempi = 300.0, tempo = 300.0,
> nstlim = 100000, dt = 0.001,
> cut = 12.0
> /
>
> -------------------------------------------------------------------------
> ---
>
> when i gave the command to run MD, i got the following error message,
>
> -------------------------------------------------------------------------
> ---- lib-4324 :UNRECOVERABLE library error
>
> Encountered during a namelist READ from unit 5
>
> Fortran unit 5 is connected to a sequential formatted text file:
>
> "AT-vac-md1-12cut.in"
>
> 10T Trap.
> -------------------------------------------------------------------------
> ---
>
> kindly suggest me what could be the reason for this,
>
> c.bala
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