[ghemical-devel] Re: Ghemical 1.51 and/or HEAD compilation?

Tommi Hassinen thassine@messi.uku.fi
Fri, 14 May 2004 17:09:18 +0300 (WET)


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