9 Feb
2005
9 Feb
'05
6:01 p.m.
Hi All, towards the "bound (min,max)" issue: I think that is what many people dream of in IFEFFIT. By now, the implementation of a restraint is (as Matt's example showed) a bit scary. And we all have seen the tricks of fits like negative DW factors, silly CNs and so on. So a simple "bound" command as mentioned would for sure make - especially for new users - life a bit easier. Norbert -- Dr. rer. nat. Norbert Weiher (norbert.weiher@manchester.ac.uk) School of Chemical Engineering and Analytical Science Sackville Street, Manchester, M60 1QD - Phone: +44 161 306 4468