Re: ?????? RE: AMBER: A problem to loadup the molecular in the xleap

From: David A. Case <>
Date: Sat, 19 Jan 2008 10:17:16 -0800

On Sun, Jan 20, 2008, ???? ?? wrote:
> The errors were just as I had not loaded up the imichange.prepin and
> imichange.frcmod. It said that some bond type and atom types could not be
> found.

I think the people trying to help are not making ourselves clear here. It is
important that you copy and paste into your email the *exact* commands you
gave, and do the same for the *exact* error messages. Don't just report "it
said that....", or "I could not save the file". We need to see what you typed
and what the response was.

Before sending more email, also be sure that you paste the error message into
the search box at the Amber web site, and search the mail archives to see if
others have seen the same problem.

You attached a mol2 file to you last email. I'm not sure if or how you loaded
that into LEaP, but that file has many atoms all named "CA" (for example), and
I don't think that will work; LEaP expects mol2 files to represent single


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Received on Sun Jan 20 2008 - 06:07:35 PST
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