Selection based on molecule numbers.
authorTeemu Murtola <teemu.murtola@cbr.su.se>
Wed, 28 Apr 2010 09:20:23 +0000 (11:20 +0200)
committerTeemu Murtola <teemu.murtola@cbr.su.se>
Wed, 28 Apr 2010 09:20:23 +0000 (11:20 +0200)
commitc52f5131f97c1c38b7b5e3b14bf8d6ced13c3c12
treed0aab8bc73457aa4feac01ca2d76ead48aba039c
parent1dc202bd31fbca515d6c81c741a15676a20eba26
Selection based on molecule numbers.

It's now possible to select atoms belonging to certain molecules using
the index of the molecule. Also adds support for "same molecule as".
Selecting based on molecule name would require larger changes, because
t_topology does not contain the names.
src/gmxlib/selection/selmethod.c
src/gmxlib/selection/sm_simple.c