AMBER Archive (2007)

Subject: Re: AMBER: Prepin error (?) in xleap

From: Lili Peng (lilipeng_at_gmail.com)
Date: Fri Aug 24 2007 - 14:19:07 CDT

I created it using prepgen in antechamber:

"prepgen -i glu3.ac -o glu3.prepin -f int -rn GLU3 -rf GLU3.res"

Then I bring up xleap and try to upload the prepin using "loadamberprep
glu3.prepin"

Something is wrong with the specification of the GLU3 residue too. I tried
"list" and "check GLU3" and GLU3 didn't show up.

Any ideas what could be wrong?

thanks,
Lili

On 8/23/07, David A. Case <case_at_scripps.edu> wrote:
>
> On Thu, Aug 23, 2007, Lili Peng wrote:
> >
> > I'm running into what I think is an error message in xleap when I try to
> > load my prepin file.
> >
> > "this is a remark line atom OE1 type O.co2: type must be 1 or 2
> characters"
> >
> > What does this mean? Is there something wrong with my prepin file?
>
> Probably. How did you create the prepin file? Did you look at it to see
> if there is an atom called "OE1" with a type "O.co2"? As the message
> says,
> Amber and gaff atom types are at most two characters long.
>
> ....dac
>
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