[gmx-users] Longer scale simulations
feenstra at chem.vu.nl
Thu Dec 11 09:23:02 CET 2003
David van der Spoel wrote:
> On Wed, 2003-12-10 at 14:18, Tsjerk Wassenaar wrote:
>>Depending on the geometry of your system and the flexibility, it can be
>>worth performing the simulation in a molecular shaped box. This may save
>>you 50% on computational time. If you like you can contact me off the list.
>>You will need a modified version of Gromacs though. I hope these
>>roto-translational constraints make in i
> can you be more specific on this stuff? (maybe off the list too).
I'd still like to be included in the explanations/discussions.
Perhaps something for the developers list?
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/ |
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