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
--
==================================================================
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:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
Received on Mon Sep 16 2002 - 09:25:54 PDT
