Adding metal parameter

From: <>
Date: Mon 23 Oct 2000 18:53:27 -0400

Hi All,
I am pretty new to AMBER. I tried to include Zn and Ca ions in the MD
simulation. So, I appended parameters for these ions to the copy of
parm94.dat and ion94.lib in my local directory and loaded them by xleap.
Leap did not complain about new ions, everything seemed fine. After I saved
coordinate and topology files, I checked the files by reading into
Moilview. But Moilview reported error in the file and displayed no
connection between atoms.

Have I done something wrong? Is there any recommanded way to add new atom
type and parameter ?

Any suggestion will be very helpful for me.


Kiyean Nam
UMDNJ/Novartis Predoctoral Program
Received on Mon Oct 23 2000 - 15:53:27 PDT
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