
6 Oct
2014
6 Oct
'14
3:30 p.m.
Hi George, You need something more like: del :wat & ~ :1355.water (delete wat residues AND NOT residue 1355 in water chain) I hope this helps, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On Oct 6, 2014, at 2:02 PM, George Tzotzos <gtzotzos@me.com> wrote:
I’m running an amber trajectory and in particular snapshots I’d like to delete all water molecules but one.
If I do
del :WAT !1355.water
I get a “mangled atom specifier”. Obviously I got the wrong syntax. Your help will be much appreciated
Regards
George