Edson Fauth Vargas Filho wrote:
Hello all!
I 'm working with a protein and I would like to make a system with
octanol. I tried to use the archives that are on line at Gromacs Wiki -
User contributions, but this solvent was constructed to OPLS. Then my
sistem is very slow.
My query is if is there any MDP, TOP and/or GRO to octanol that I could
use with 43a1 force field?
You can write it yourself in ten minutes. Chapter 5 of the manual.
Thanks in advance,
Regards,
Edson Fauth.
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
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