On Thu, 13 May 2004, Geoff Hutchison wrote: > I'd like to do some conformer searches and I'd love to try out the new > force field with Monte Carlo searching. Now that you mentioned the new force field, I must say that the work on that is not yet complete. I'm not even sure which version is at the moment in libghemical, but if it seems to have problems I can quickly switch back the parameter set that has always been in the v1.00 tree. But that's just good if you have a chance to test it... Weekends, Tommi