[gmx-users] resolution influence on simulations
Ruben Martinez Buey
ruben at akilonia.cib.csic.es
Wed Nov 27 00:57:24 CET 2002
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
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,
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users