================= 98/09/01 =================== From: shenkin@still3.chem.columbia.edu (Peter Shenkin) Subject: CCL:Re: CCL:Quantitative normal mode analysis From: Gustavo de Miranda Seabra Subject: CCL:overlap integrals on GAMESS From: Allen Adler Subject: CCL:Aufbau irregularities From: Knegtel Ronald Subject: CCL:Summary cavities in protein-ligand complexes From: Arbouznikov Alexei Subject: CCL:Re: CCL:DFT questions From: "Hr. Dr. S. Shapiro" Subject: CCL:Boltzamnn-weighted conformations From: "Peter Shenkin" Subject: CCL:Re: CCL:Frequency calculation of transition state From: "Marc N." Subject: CCL:Re: CCL:Linux on Alpha, math library From: "Sergio Emanuel Galembeck" Subject: CCL:Re: CCL:uhf and biradicals: summary From: "E. Lewars" Subject: CCL:RESPONSE TO QUESTION ABOUT NEG FREQS From: Alk Dransfeld Subject: CCL:NMR:MacSHARCIVAR.beta.Version