AMBER Archive (2009)

Subject: Re: [AMBER] Re: addions

From: Shubhra Gupta (shubhg_at_iiar.res.in)
Date: Thu Jun 04 2009 - 23:38:20 CDT

Dear Peter Gannett:

Thanks for your suggestion it works.

Shubhra

On Wed, Jun 3, 2009 at 7:17 PM, Peter Gannett <pgannett_at_hsc.wvu.edu> wrote:

> Your error message indicates that leap does not know to what Na+ refers
> (Argument #2, I think, refers to the ion being used (Na+)). This suggests
> that maybe leap did not load ions94.lib (or whatever lib file you are
> using). To be sure leap knows about Na+ enter
>
> list
>
> and see if Na+ is there. You can also take a look at the messages that
> leap provides when you start to see if the ions library is one of the files
> loaded.
>
> Pete
>
>
>
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