MM2/MM3 parameters program is here



Thanks to Dora Schnur from Monsanto we have a very useful addition to our
 software archives. The program was written for UNIX System V for Silicon
 Graphics, so other C's may require some small modifications. Also, you are
 required by the Copyright of the program to notify
 dmschn(-(at)-)bb1t.monsanto.com
 (Dora Schnur) that you have a copy of the program. Just send a short note
 with your name and address to dmschn(-(at)-)bb1t.monsanto.com that you retrieved
 the program. It does not bind you to anything, but is a condition for
 releasing the program to the general public. Please comply (you never
 know if I know what you took...).
 >From readme file:
    "mm2_params" is a C language program which attempts to remedy
 missing
    parameter messages from either MM2(87) or MM3.  Often, MM2/MM3 will be
    unable to process a structure because required parameters are missing.
    One method of supplying crude parameters is for the researcher to
    manually select them from known parameters based on their knowledge of
    the similarity of atom types, using atom number, hybridization,
    electronegativity, etc.  "mm2_params" attempts to replicate this
    similarity matching in an automated, consistent fashion.
 "mm2_params"
    does NOT produce optimized parameters - it produces a first guess
    based solely on similarities, which is intended to be used as an
    adequate starting point for optimization by the researcher.
    For method details, see The Journal of Computational Chemistry (1991)
    12(7), 844, "Development of an Internal Searching Algorithm for
    Parameterization of the MM2/MM3 Force Fields".
 You can download the program by using ftp in the following way:
 %ftp www.ccl.net   (or ftp 128.146.36.48)
 Name: anonymous
 Password: Your_e-mail_address
 ftp> ascii
 ftp> cd pub/chemistry/mm2_params
 ftp> mget *
 ftp> quit
 If you do not have ftp, you may still obtain the program by using
 our e-mail interface. Send the following message:
    send ./mm2_params/mm2.site_parameters from chemistry
    send ./mm2_params/posting from chemistry
    send ./mm2_params/mm2_params.c from chemistry
    send ./mm2_params/mm2_params.make from chemistry
    send ./mm2_params/readme.mm2_params from chemistry
    send ./mm2_params/thiophene.mm2 from chemistry
    send ./mm2_params/thiophene.para from chemistry
    send ./mm2_params/thiophene_mm2.out from chemistry
    send ./mm2_params/utility.c from chemistry
    send ./mm2_params/utility.h from chemistry
 to OSCPOST(-(at)-)ccl.net or OSCPOST(-(at)-)OHSTPY.BITNET and the files will be
 automatically forwarded to you by e-mail.
 One of the files mm2_params.c is 112160 bytes long and if your e-mail
 does not allow messages this long, bug me, and I will chop it for you.
 Thanks again to Dora Schnur for this needed contribution.
 Jan Labanowski
 Ohio Supercomputer Center
 jkl(-(at)-)ccl.net