AMBER Archive (2007)

Subject: Re: AMBER: mm_pbsa error

From: Varsha Goyal (vgusp_at_yahoo.ca)
Date: Thu Jan 25 2007 - 10:16:31 CST

Hi,
Easiest way to do is keep all prmtop files in same
directory where you have mm_pbsa.in file.

Thanks,
Varsha

--- Syed Tarique Moin <tarisyed_at_yahoo.com> wrote:

> 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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> > > Go to the Yahoo! Mail Q&A for great tips from
> > Yahoo! Answers users.
> > >
> >
>
http://answers.yahoo.com/dir/?link=list&sid=396546091
> > >
> >
>
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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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