AMBER Archive (2005)

Subject: AMBER: question about leaprc.gaff and xxx.top

From: Vijay Manickam Achari (vjrajamany_at_yahoo.com)
Date: Fri Jul 01 2005 - 00:52:15 CDT

Dear amber users,

I have used leaprc.gaff during my modeling of
thio-glucoside.
when I have alook at my xxx.prepin file the atom-names
are in small letter.

Does this give problem in when I generate xxxx.top
file using ambpdb?

But when I see xxxx.top file I notice at the begining
of the file the atom names are in capital letter.

I wonder if the chrages from the xxxx.prepin file have
taken in the xxx.top file or not.

Can any one there explain this?

Thank you
Vijay

        
        
                
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