[AMBER] changeLJSingleType problem in parmed.py

From: Hamed S. Hayatshahi <biophysicist1981.yahoo.com>
Date: Thu, 12 Dec 2013 14:26:29 -0800 (PST)

Hi
It seems that the command changeLJSingleType which is supposed to change the LJ parameters of a selected mask, changes all atoms with the same name/type. For example, in my case, when changing the parameters of :58.Mg+ to x and y as follows, it changes all @Mg+ instead of :58.Mg+ :

changeLJSingleType :58.Mg+ x y


I am using Amber 12, AmberTools 13. 
 
Hamed S. Hayatshahi
PhD candidate in Medicinal Chemistry
University of Utah
+1 801-867-4501
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Received on Thu Dec 12 2013 - 14:30:03 PST
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