Could someone please tell me how to format my input protein coordinate
file for generate.inp in CNS for a side chain in two distinct
conformations. I didn't think this would work, and it doesn't.
.
.
.
ATOM 100 CB HIS A 85 X.XXX X.XXX X.XXX 1.00
XX.XX 6
ATOM 101 CG HIS A 85 X.XXX X.XXX X.XXX 0.50
XX.XX 6
ATOM 102 CD2 HIS A 85 X.XXX X.XXX X.XXX 0.50
XX.XX 6
.
.
.
ATOM 106 CG HIS B 85 X.XXX X.XXX X.XXX 0.50
XX.XX 6
ATOM 107 CD2 HIS B 85 X.XXX X.XXX X.XXX 0.50
XX.XX 6
.
.
.
ATOM 111 C HIS A 85 X.XXX X.XXX X.XXX
1.00 XX.XX 6
.
.
.
THANKS,
--
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
