Hi Dong,
you can deal with your problems (too many pseudoatoms) in two ways:
either explicitly defining all the pairs of atoms (or at least a few of them -
you defined 291 independent pseudoatom) that you restraining, or using a
modeller version suited for this particular problem. Since this morning you can
find a modeller executable with 2000 possible pseudo atoms, on our ftp site:
ftp salilab.org
/pub/outgoing/mod_r10000
Andras
--
,
Andras Fiser, PhD # phone: (212) 327 7206
The Rockefeller University # fax: (212) 327 7540
Box 270, 1230 York Avenue # e-mail:
New York, NY 10021-6399, USA # http://salilab.org/~andras