>On Wednesday 02 August 2006 16:25, Rzepa, Henry wrote: >> The molstart people claim to have implemented force fields into >> their program. Its Java based, and may not have some of the problems >> of using platform specific c++? > >Can't find this claim on the website... (thanx for the pointer) they do seem >to interface to Gaussian... where did you see the mention of a Java based FF? > >E At the bottom "Open a PDB file, click on "Force Field" to load a force field and click "Compute/Atomic Typing" to assign force field to atoms. More functional development is needed for the force field parameters." I suspect this is a project hardly started,never mind finished. the web site does not seem to have been much touched recently. but http://molstart.sourceforge.net/compute.html seems to be recent and interesting! -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); rzepahs at mac.com (iChat) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter in operation for received email. If expected reply not received, please phone/fax).