AMBER Archive (2004)

Subject: Re: AMBER: lib file

From: anita Pachaimuthu (annie_sony13_at_yahoo.com)
Date: Mon Aug 02 2004 - 09:27:51 CDT

Hi
Leap allows only reading of prep files.We cannot save
as amberprep file.
Can somebody
1.help me understand .lib file (or)
2.The procedure to Covert a .lib(in Object File Format
OFF) file to prep file.
Thanx
Anita
--- "Furse, Kristina Elisabet"
<kristina.e.furse_at_vanderbilt.edu> wrote:

> Maybe you could read the old .lib files into leap,
> then save them as prep files,
> then edit the prep files?
> Kristina
>
>
> Quoting anita Pachaimuthu <annie_sony13_at_yahoo.com>:
>
> > Hi
> > I need the .lib file format because iam trying to
> > interpret some old files and edit them .Instead of
> .in
> > format they had used .lib file as input to tleap
> to
> > generate the top and co-ordinate files.
> >
> > Thanx
> > Anita
> > --- "David A. Case" <case_at_scripps.edu> wrote:
> >
> > > On Fri, Jul 30, 2004, anita Pachaimuthu wrote:
> > >
> > > > Can anybody help me understand the
> > > all_aminoct94.lib
> > > > file. Where can i find the format for .lib
> file
> > >
> > > It's better to look at the corresponding prep
> file:
> > > $AMBERHOME/dat/leap/prep/all_amintoct94.in. The
> lib
> > > file is created
> > > automatically from this, and the prep format is
> > > documented on the Amber web
> > > site.
> > >
> > > Having said that, the format of lib files is
> > > supposed to be rather
> > > self-documenting, at least if you can grok what
> the
> > > various variable names are
> > > likely to mean. So the corresponding question
> is:
> > > why to you need to
> > > understand this file, and is there something
> > > particular you are looking for in
> > > it?
> > >
> > > ...dac
> > >
> > >
> >
>
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>
-----------------------------------------------------------------
> Kristina E. Furse
> Department of Chemistry
> Center for Structural Biology
> Vanderbilt University
> Email: kristina.e.furse_at_Vanderbilt.Edu
>
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