4 Sep
2012
4 Sep
'12
2:02 p.m.
On Sep 3, 2012, at 6:28 AM, Marek Maly wrote:
Hello,
it seem to me that Chimera is not able to do H-bond analysis between water molecules when TIP4P water model is used. Am I right or I overlooked something ?
Upon further review, I can reproduce the problem you're having. The "extra point" of the TIP4P water (atom "EPW") is screwing up Chimera's H-bond finding. You need to delete that "atom" ("del @epw" in the command line), then Chimera will be able to find the inter-water H bonds. --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu