On Mon, 16 Sep 2002, David A. Case wrote:
> 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
>
> Example 1 is from Amber 6, specifically titled Minimization of BPTI in
vacuum.
When I specify the leaprc location in the search path; must I do this
every time I invoke teLeap? Surely there is a shortcut!
The leap.log file lives in the test directory; I think this is a problem
too, how should I go about fixing this?
Alicia
Received on Tue Sep 17 2002 - 05:03:53 PDT
