AMBER Archive (2007)

Subject: Re: AMBER: mm_pbsa error

From: Syed Tarique Moin (tarisyed_at_yahoo.com)
Date: Thu Jan 25 2007 - 04:04:36 CST

Hello,

In the mm_pbsa.log, it has the following error. if
wrong path of the input files or prmtop file, how i
could put the path of these files.
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Checking sanity
Checking GENERAL
COMPT must be specified (correctly)

;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Thanks in advance

--- vanessa wai <wai.vanessa_at_gmail.com> wrote:

> Hi.
>
> Check with your mm_pbsa.log and probably you can
> find the error there. my
> suspect will be wrong path for input files or
> parmtop files.
>
>
> Regards,
> Vanessa
>
> On 1/25/07, Syed Tarique Moin <tarisyed_at_yahoo.com>
> wrote:
> >
> > Hello,
> >
> > I run the command
> >
> > " ./mm_pbsa.pl mm_pbsa.in > mm_pbsa.log &"
> >
> > but it is giving the following error.
> >
> > Died at
> >
> /usr/local/amber8//src/mm_pbsa/mm_pbsa_readinput.pm
> > line 352
> >
> > I want assistance
> >
> > Thanks in advance
> >
> > Syed Tarique Moin,
> > Junior Research Fellow,
> > H.E.J. Research Institute of Chemistry,
> > International Center for Chemical and Biological
> Sciences,
> > University of Karachi, Karachi-75720, Pakistan
> >
> > tarisyed_at_yahoo.com
> > tarisyed_at_hotmail.com
> >
> >
> >
> >
> >
> >
>
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Syed Tarique Moin,
Junior Research Fellow,
H.E.J. Research Institute of Chemistry,
International Center for Chemical and Biological Sciences,
University of Karachi, Karachi-75720, Pakistan

tarisyed_at_yahoo.com
tarisyed_at_hotmail.com

 
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