[gmx-users] looking for help about the generating of opls forcefield

zhuliang at tju.edu.cn zhuliang at tju.edu.cn
Wed Mar 26 02:20:17 CET 2008


Hi all:
   How are you! I want to simulate the solution structure of a amino sugar
gromacs, but I have no force field parameter about it. I have tried to obtain its
forcefile parameter through prodrg and antechamber, and try my best to refine it.
however, both calculated results with these forcefield parameter were unsatisfied.
I hope someone can give me a hand if you have experience with generating ff
parameter or you have interests. Thank you in advance!

best regard    





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