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这个网址可以申请的,我马上就收到邮件了,下面是邮件内容:
Please note that some browsers have deprecated ftp for file transfers due to
security concerns. If the above link does not work in your browser you can
download it using wget with the following command:
wget ftp://omega.chem.yale.edu/tmp/boss0824.tar.gz
or using curl:
curl -o boss0824.tar.gz ftp://omega.chem.yale.edu/tmp/boss0824.tar.gz
August 2024
--------------------------------
Linux Release of BOSS 5.1
--------------------------------
This release includes
(a) Added LJ cutoff correction for solutes in any solvent; this is automatic.
(b) Added ability to write zmats for Charge and LJ annihilations.
(c) This is used in new test job FEPannihil for automatic calculation of free
energies of hydration - see JPCB 2024, 128, 250-262.
(d) Increased output formats for longer runs. Averaging can now be as long
as 999,999,999 configurations.
(e) Test job MCsolute was added for automatic execution of MC simulations
for a solute in TIP4P water for 0.5 B or 5 B configurations. This allows
direct calculations of heats and volumes of hydration.
See PCCP 2024, 26, 8141-8147.
(f) Directory boss/molecules/OPLS2020 now contains many z-matrices for
molecules with OPLS/2020 type assignments.
Also, please see the new reprints and preprints in the bossman directory.
*********************************************************************
* Licences are in the licences directory; please be aware of *
* the restrictions in the license agreements. *
* Installation of the software implies your consent to the license. *
*********************************************************************
All scripts and command files use BOSSdir as the designation
for the top BOSS directory. A path to it needs to be defined in
your .cshrc file by a statement like
setenv BOSSdir ~/boss
This facilitates installation under different file structures.
If you already have a directory called boss, you should rename it, e.g.
mv boss bossold
Next you need to uncompress and extract:
gzip -d boss0824.tar.gz
tar xovf boss0824.tar
The tar command above will create a directory called boss
that contains all of the files. You need to rename the
boss directory to what you have designated as $BOSSdir
Go to the boss directory via
cd $BOSSdir
***** Please read the README file. *****
To access the user's manual (a PDF file), enter:
cd bossman
and display with Adobe Acrobat reader, e.g.
acrobat boss51.pdf
Let me know if there are any problems. W Jorgensen
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