Example MM3 Data Files

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2 total messages Started by Martin Carpenter Mon, 24 Jul 1995 00:00

#54

Author: Martin Carpenter
Date: Mon, 24 Jul 1995 00:00

18 lines
1186 bytes

Dear All,

I am currently working under John Brown of the Dyson Perrins Lab., Oxford,
to optimise Allinger's MM3 Molecular Modelling program (available from
the QCPE).

However, I am no chemist and would appreciate it if anyone could provide
me with any (pointers to) cannon-fodder (in the form of MM3 input files) 
for my efforts so far -  preferably quite large molecules containing a 
number of heavy atoms. (Organometallic catalysts are our eventual aim).

Many Thanks,
Martin.

--
Martin Carpenter            e-mail:  Martin.Carpenter@comlab.ox.ac.uk
		        snail-mail:  Lincoln College, Oxford, OX1 3DR
                               WWW:  http://www.comlab.ox.ac.uk/~c94mjc

Re: Example MM3 Data Files

#55

Author: Jiri Damborsky
Date: Tue, 01 Aug 1995 00:00

7 lines
809 bytes

Dear Martin;
try write your request on following address:

zdenek@chemi.muni.cz

Good luck,
Jiri

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