Alternate conformations

Matthew Meyer mgm10 at psu.edu
Sat Feb 26 18:30:27 EST 2000


I'm having trouble with my alternate side chain conformers "seeing" each
other during minimization w/ CNS_SOLVE 0.9.
My PDB has two instances of all atoms of residue 85 (occupancy = 0.5).
The second instance was generated by alternate.inp as the last residue
in the file.
I pasted the coordinates of the second conformer into the 2nd instance
of resid 85.

Subsequent minimization with

conf_1 = (resid 85);
conf_2 = (none);

does not fix the problem.

Suggestions?

thanks,
Matt




--
Matthew G. Meyer
Penn State University
Dept. Biochemistry & Mol. Biology
6 Althouse/154 N. Frear
University Park, PA 16802
(814)865-8383/863-4904
mgm10 at psu.edu



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