about force fields

From: oguz gurbulak (gurbulakoguz_at_yahoo.com)
Date: Tue Aug 19 2008 - 09:54:14 CDT

        
        
        
        
        
        

Dear
All,

My
name is oguz gurbulak. I'm using Amber 9 v.  I¢m interested in
 n-alkanes and  evaluating
thermophysical and
structural properties of n- alkanes  and  binary mixtures
 of n-alkanes. I'm
performing MD simulations for my n- alkane structures with using
GAFF. But I want to use  different force fields ( especially
united atom force fields ) for my simulations and compare the
results. And
I am planning  to use TraPPE-UA and OPLS-UA force fields that
are quite good for n-alkanes
for  my  molecular
 structures in Amber 9.
And I need to know some extra information about using these force
fields in Amber and need some expert advice and suggestions.
I thought that you can help
and also lead me to
do the right thing. What
are the main aspects of using a force field in a different MD
program package that does not provide files of this force field ?
What should I do respectively ? Could you give me some
information,suggestion  and tips  about this issue ?

Thank
you very much for your attention.

Kind
regards.

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