[gmx-users] oplsaa vs. charmm

simon sham ssham44 at yahoo.com
Fri May 27 17:50:14 CEST 2011

I have recently done two simulations on a protein at high temperature near its melting temperature. At the beginning I used CHARMM forcefield, and then OPLSAA to double check the results. There are some differences in the structures between the forcefield used.  I know different forcefields can give different results. All parameters in the simulations were the same except the forcefield. Is there anyway I can tell which forcefield gives more reliable results?

Thanks for the insights,

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