[gmx-users] (no subject)
jsabou1 at gmail.com
Thu Jul 25 06:46:53 CEST 2013
>In an implicit, non-periodic system, it is more likely that the ligand
>float away from the protein. I've tried it and that's all that ever
>Moreover, the current Gromacs version does not support implicit solvent on
>and the previous version that did had very limited functionality.
Hm, I am probably completely wrong about this, but can you do implicit
solvent and Periodic Box Conditions?
If so, does it give similar ns/day?
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