Does anyone have experience implementing a Gasteiger charge calculation? I will try to take a look at
J.Gasteiger and M.Marsili: Tetrahedron Vol. 36. , pp. 3219-3288 (1980) and see if there is any chance we can do this. Bob ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
