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.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.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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>
>
>
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-----------------------------------------------------------------
Kristina E. Furse
Department of Chemistry
Center for Structural Biology
Vanderbilt University
Email: kristina.e.furse.Vanderbilt.Edu
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Received on Fri Jul 30 2004 - 22:53:01 PDT
