VMD-L Mailing List

From: Mark M Huntress (markmh_at_bgsu.edu)
Date: Mon May 11 2009 - 12:35:10 CDT

I am trying to select waters near my protein, so my selection is "within 3.8 of protein" but this gives me many water atoms (lone H's and lone O's) that don't include the whole molecule, because the other atoms are outside of the 3.8 Å cutoff range. Is there a way I can select the whole water molecules and not extra atoms? I need to save a file that is realistic.
Thanks,
Mark