Hi all,
When we run Forcite dynamics, we get .xsd file and .xtd file. As I understood, atom forces in the last trajectory file and .xsd file should be the same. But, I find that this is not true for fixed atoms, even if I check the "include force" option in the Advanced tab of dynamics dialog. Has anyone got idea why this is happening so?
Other problem is how to script "include force" option in dynamics calculations?
Thanks in advance