From: dhacademic (dhacademic_at_gmail.com)
Date: Mon Sep 06 2010 - 17:26:29 CDT
Hi Jerome and Giacomo,
I have tried the following syntax (in colvars.conf file) according to the
psfSegID A A B B C C D D
atomNameResidueRange CA 386-485
atomNameResidueRange CA 628-763
And I still meet a similar output shown as follow. This time 236 atoms on
segment A can be selected. However, the rest atoms on segment B, C, D are
still ignored. It looks like that this atom definition error comes from to
the bug of the version 2.7b1.
#### my output file ####
colvars: Initializing atom group "atoms".
colvars: Warning: found more than one instance of "psfSegID".
colvars: Atom group "atoms" defined, 236 atoms, total mass = 2834.6--001485f20c549399c3048f9ec526--
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