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From: Matthew B. <mp...@pi...> - 2013-07-01 17:42:45
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Hi, Is it possible to force a selection to only apply to the specific frame rather then across frames? I'm running in to a problem where I have some (~40) frames from an explicit solvent MD that I want to look at. What I want to do is look at water molecules around a specific residue at each frame, but when I do something like, 'sele wats, byres resn WAT in <md_obj> within 6 of <residue of interest>', it ends up a majority of the waters in the system. I think that what it is doing is finding all waters that are with 6 A of the residue of interest in ALL frames, then selecting them in the current frame. Which is not the expected behavior. From what I can tell, there isn't a selection syntax for selecting the frame. Perhaps there is a setting for this that I couldn't find. Any help would be appreciated including solutions involving VMD or custom scripts. Thanks, Matt -- |