AMBER Archive (2004)

Subject: Re: AMBER: lib file

From: anita Pachaimuthu (annie_sony13_at_yahoo.com)
Date: Fri Jul 30 2004 - 16:08:18 CDT

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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