Hi,
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 ?
Thanks
Sanku
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