Subject: INDO param Hyperchem

From: Fdo Danilo Gonzalez Nilo <[email-masked]>
Date: Wed, 22 Nov 2000 12:43:29 -0300 (CDT)

Hi all!

Anybody know how can I change the INDO parameters in Hyperchem?

Thanks a lot!

Danilo///

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From: "S.I.Gorelsky" <[email-masked]>
Date: Wed, 22 Nov 2000 14:02:34 -0500 (EST)

> Anybody know how can I change the INDO parameters in Hyperchem?

You can modify parameters used for semiempirical methods in HyperChem by
changing the corresponding *.abp files. They are located in the
subdirectory RUNFILES.

Please also refer to the HyperChem manual ("Reference"), Appendix C.

CNDO and INDO parameter file is cindo.abp

ZINDO/1 parameter files are zindo1_1.abp, zindo1_2.abp, and zindo1_3.abp
ZINDO/S parameter files are zindos_1.abp, zindos_2.abp, zindos_3.abp, and
zindos_4.abp

Good luck!
________________________________________________________________

  Sergey Gorelsky, M. Sc.
         Department of Chemistry, York University
         4700 Keele Street, Toronto, Ontario  M3J 1P3
         tel.(416) 736-2100 ext#77720 and ext#70131
         fax:(416) 736-5936
  http://www.chem.yorku.ca/grad/SG/
________________________________________________________________