AMBER Archive (2002)

Subject: Re: example 1 problems

From: David A. Case (case_at_scripps.edu)
Date: Mon Sep 16 2002 - 11:25:54 CDT

On Mon, Sep 16, 2002, Alicia Hopkins wrote:

> I am trying to play around with example 1 and when I run the commands in
> teLeap I get the following error:
>
> saveAmberParm: There are no parameter sets loaded.
>
> I have followed the example verbatim from the website; any ideas as to
> what could be wrong?
>

you probably need to source a leaprc file, e.g.:

source leaprc.ff94

This was not required in earlier versions (since ff94 was the default), but
there is now no default.

We are trying to keep things up to date: can you let me know more
specificially what you mean by "example 1", that is, what is this? Note
also that if you are using the example on pp. 13-14 of the Users' Manual,
you should consult the "updates to the manual" section at the Amber website.

..good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
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