[gmx-users] least squares fit

rams rams rams.crux at gmail.com
Thu Oct 2 19:54:52 CEST 2008


Dear users,

While doing the least squares fit, if I choose the "protein" as input group
and "system" as output group, does it mean that the protein coordinates are
rotated to give the best fit and the coordinates of the solvent and ions are
modified with the same rotation matrices used for the protein fit ?

Ram.
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