[gmx-users] united atom force field for long chain alkane ?

Sanku M msanku65 at yahoo.com
Wed Oct 27 06:29:59 CEST 2010

  I was planning to simulate a system of  long-chain alkane carboxylate in water 
with a chemical formula CH3-(CH2)_20-COOH   .
For that I was thinking of using an united atom force-field. I found , in 
gromacs, there are two United atom force-field available: GROMOS-96 and OPLS-UA. 
I was wondering whether some one can suggest which united atom force-field will 
be good choice for such a long chain alkane chain ?

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