Hello Xplorers:
I'm using version 2.16.0 on the Mac OS X platform.
I've been trying to (completely) restrain a subset of the atoms in a
(portion of a) single-conformer simulation. Parroting an example from
Charles' intro presentations:
ivm.fix( AtomSel( '''
(name ca or name c or name o or name n or name
hn) and resi 2:88
'''))
....doesn't seem to produce the desired results. While
troubleshooting this, I found that it was hard to get any kind of
indication a selection was bogus:
AtomSel("name xxxx")
--produces no error messages in the log file
AtomSel("name xxxx").apply( SetProperty("fric",10.) )
--no errors
AtomSel("").apply( SetProperty("fric",10.) )
--no errors
AtomSel("name xxxxxx")
--does produce error messages in the log file:
%COPYST-ERR: ST2MAX too small. Check input file.
Offending string:"XXXXXX"
with length= 6
Max allowed length of string= 4
My questions are: am I using the "fix" member correctly? Should I
expect error messages for my bogus test selections?
Thanks,
ry
