AMBER Archive (2008)

Subject: RE: AMBER: INPCRD error on open

From: Campbell, Patrick (pcampbell_at_msm.edu)
Date: Thu Mar 20 2008 - 13:37:45 CDT

Thanks very much for your insight Dr. Bauvais. I have taken note of your suggestions and together with the assistance given by Dr. Simmerling, I have resubmitted my job and am looking forward to successful results.

Thanks again and do have a great day!
Patrick

-----Original Message-----
From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of Cyril Bauvais
Sent: Thursday, March 20, 2008 10:05 AM
To: amber_at_scripps.edu
Subject: Re: AMBER: INPCRD error on open

Dear Patrick,

can you copy the command you used for launch minimization ? are you sure
to have coordinates input file in same directory ?

CB

Campbell, Patrick a écrit :
> A pleasant good morning to all,
>
> I am getting the following error from the mdout file after a failed
> minimization run on a neutralized hydrated protein.
>
> 1. RESOURCE USE:
> ------------------------------------------------------------------------
> --------
> | Flags: MPI
> getting new box info from bottom of inpcrd
> Unit 9 Error on OPEN: inpcrd
>
> Can anyone suggest a possible strategy towards the correction of this
> problem?
>
> Thanks much.
> Patrick
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