Hi Waleed,
We need more info to be able to help here. Can you post details about how
you created the library for type CP / perchlorate - attach it if possible.
As well as the exact commands that you entered into leap, what your pdb file
looks like etc.
I assume you loaded both the lib file describing perchlorate as well as an
frcmod file describing the parameters for this type CP - i.e. the mass, VDW
as well as any bonds angles and dihedrals etc.
All the best
Ross
> -----Original Message-----
> From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On
> Behalf Of waleed zalloum
> Sent: Saturday, February 28, 2009 9:18 AM
> To: amber.ambermd.org
> Subject: [AMBER] PCL
>
> Dear Amber,
>
> I am trying to define perchlorate in xleap. I downloaded the needed files
> and then i tried to build the .crd and .top file for my compound after
> addions command. xleap gave me the following message: "could not find
> type: CP
>
> Note: I built a library for the Cl atom with a type CP
>
> Is there any suggestion.
>
> Thank you in advance.
>
> Waleed
>
>
>
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Received on Sun Mar 01 2009 - 01:07:44 PST
