Re: [AMBER] Generating cpin file for constant pH in Amber9

From: Jamie Romnes <jromnes.student.physics.ucdavis.edu>
Date: Wed, 3 Mar 2010 12:39:05 -0800 (PST)

Problem solved, it was an issue with the .inpcrd file. Thanks for the help!

> On Wed, Mar 3, 2010 at 2:47 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>>> $ ambpdb -p VRQ6Imp.prmtop < VRQ6Imp.inpcrd > VRQ6Imp.stdin
>>> lib-4001 : UNRECOVERABLE library error
>>>   A READ operation tried to read past the end-of-file.
>>> Encountered during a sequential formatted READ from unit 5
>>>  Current format:    30 FORMAT(20A4)
>
> If I'm not mistaken, unit 5 is fortran reserved for standard input.
> This would then be the file you passed as stdin (namely the inpcrd).
> I can't imagine the prmtop would be opened on unit 5. Check the
> inpcrd to make sure that it is compatible with your prmtop file. You
> may find VMD or something of the like helpful.
>
> Good luck!
> Jason
>
>>
>> You could read ambpdb code to determine whether unit 5 is the prmtop
>> or the inpcrd. But if you tail them both, I suspect you will find
>> one is truncated.
>>
>> Bill
>>
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>
>
>
> --
> ---------------------------------------
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>


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Received on Wed Mar 03 2010 - 13:00:03 PST
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