AMBER Archive (2006)

Subject: AMBER: parameter loading problem

From: Lihua Wang (
Date: Thu Feb 02 2006 - 15:01:51 CST

Hi All,

I encountered a parameter loading problem with tleap/xleap.
I have customized CK-N2 bond parameter which I put with other added
parameters in a file in my home directory. I loaded the
and then my own parameter file with leap. Then I did:

x = loadpdb mystructure.pdb
saveamberparm x mystructure.crd

but tleap reports that parameter was not saved.

However, if I simply put the CK-N2 parameter in the parm99.dat or
frcmod.ff03, the parameter file can be saved properly.

This occurs ONLY to the CK-N2 parameter. Other customized parameters can
be correctly loaded from the file in my home directory.

Did anybody have this kind of problem? Is there something special about

Thanks for your attention.

Lihua Wang
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