AMBER Archive (1999)

Subject: Re: leap

From: Jarrod Smith (jarrod.smith_at_vanderbilt.edu)
Date: Fri Nov 05 1999 - 11:52:08 CST

user1 wrote:
>
> I' starting using leap, but the program doesn't work: when I run the program I
> obtain this message Welcome to LEaP!(no leaprc in search path). So when I load
> my protein and write saveamberparm x x.top x.crd, the program doesn't find any
> parameters library. What should I do now ?
>
> Thanks to everyone in advance,
> Cristina Dezi.
>
> --

LEaP will normally try to source a file called leaprc at startup. This
file is usually in the cmd/ subdirectory under your LEaP installation.
Among other things, this file contains LEaP commands which load the
default residue and parameter libraries. Hence your problem.

You can solve your problem one of many ways. You could load the
libraries by hand once LEaP is running, point LEaP to the leaprc file
with the -I option, or make a custom leaprc file which can be sourced at
program startup with the -f option. Check the manual for details.

Hope that helps. 

-- 
Jarrod Smith                                jarrod.smith_at_vanderbilt.edu
Structural Biology/Biochemistry                       Tel: 615-322-1739
Vanderbilt University                                 Fax: 615-936-2211