[gmx-users] Octanol

Edson Fauth Vargas Filho edinho.farma at gmail.com
Tue Oct 14 14:28:41 CEST 2008


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?

Thanks in advance,
Regards,
Edson Fauth.
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