AMBER Archive (2005)

Subject: Re: AMBER: Leap error: Could not find atom type: CE

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Wed Nov 02 2005 - 12:31:23 CST

Dear Vlad,

Did u just define the mass of 'CE' in the frcmod file? And also, how does
your prepi file look like?

Best,

On Wed, 2 Nov 2005, Vlad Cojocaru wrote:

> Dear ambers,
> I encountered a strange problem. I created a new atom type (CE: a new
> sp2 carbon) which I defined in a new frcmod file. I added also all the
> new parameters required to this file. Now, if I load the new residue
> into leap (as a prep file for instance), I also load the new frcmod file
> and I ask Leap to "check UNIT" ... evrything looks OK (no missing
> parameters). However if I try to saveamberparm for the residue, I get
> the error: "Could not find atom type: CE". Does anyone have any idea why?
>
> In the frcmod file I specify
>
> MASS
> CE 12.0
>
> Best wishes
> vlad
>
> 

-- 
  Ilyas Yildirim
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