[gmx-users] selecting two groups for average structure
dcrosby at uci.edu
Wed Sep 9 01:52:53 CEST 2009
Hello, I'm sure there's a simple solution to this problem, so please bear
with me... I'm attempting to generate an average structure from a
trajectory and I'd like to have it pool two groups into the final structure.
I work with a magnesium-coordinating integrase protein, so my groups are 1:
protein, and 12: MG2+. Trying to average each then combine the two files
won't work as the ions are re-centered in coordinate space after the
averaging is done.
University of California, Irvine
Dept of Pathology and Laboratory Medicine
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