Dear Santu,
Just to add to Jacco's advice (which I fully agree with) - you mention that
you used energy minimization to produce the model Molecule. You should make
sure that you still leave enough degrees of freedom to the Molecule, and not
fix rigidly parts of the molecule as they are provided by your minimization.
You need some flexibility to find the actual global minimum.
Additionally, I also encourage sending data (xml files) to me in order to
help users and improve Fox.
Vincent
--
Vincent Favre-Nicolin
Université Joseph Fourier
http://v.favrenicolin.free.fr
ObjCryst & Fox : http://objcryst.sourceforge.net
