X-plor symmetry potential

Murray Coles Coles at novaspin.de
Mon Aug 20 07:14:31 EST 2001


I am having trouble with the symmetry distance restraint potential in
X-plor (version 5.81). This potential doesn´t appear to work at all,
i.e. I get zero NOE energy (after removing all other restraints) and my
molecule is definately not symmetrical.

Is there a known problem with the potential in these older versions?

I would appreciate any sort of advice

thanks

Murray Coles


---




More information about the X-plor mailing list