AMBER Archive (2008)

Subject: Re: AMBER: INPCRD error on open

From: Cyril Bauvais (bauvais_at_itodys.jussieu.fr)
Date: Thu Mar 20 2008 - 11:04:31 CDT

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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