19 Jan
2010
19 Jan
'10
6:45 p.m.
Hello,
I encountered the same with later nightlies than 1.5-2 also. The problem is the "fix_rotamers = True " command. You have to return it to its default value "None".
Apparently, some subroutines like that one don't work with twin_f_lsq algorithm. I believe because the fix_rotamers function depends on a map cc calculation which also in itself doesn't work with twin_f_lsq.
This is correct and sorry for the problem. I have to add a meaningful error message. Pavel.