[gmx-users] resolution influence on simulations

Ruben Martinez Buey ruben at akilonia.cib.csic.es
Wed Nov 27 00:57:24 CET 2002

Hi everybody,

If you try to see a conformational changes induced by a a ligand, but
the structure have been resolved at
3.5 - 4 A resolution. Is this resolution good enough for a molecular
dynamics simulation?
When comparing the two simulations (with and without ligand) from the
same starting structure the errors produced
by this low resolution are similar and can you eliminate them??

Thanks in advance,

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