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Home Page. Computational Chemistry List. Resource for Computational Chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
mail.ccl.net
Szabo README File
http://mail.ccl.net/cca/software/SOURCES/FORTRAN/szabo/index.html
File List for szabo Directory. KB] : Program contained in the book 'Modern quantum chemistry'. Install gfortran (or another fortran77 compiler). At the commandline write:. Gfortran szabo.f -o szabo.exe. Or if it does not work, try. G77 szabo.f -o szabo.exe ). If the file output is desired launch the program at the commandline as:. With your preferred text editor. Submitted by Daniele Dondi. Kalium at inwind.it.
CCL Home
http://mail.ccl.net/chemistry/sub_unsub.shtml
Http:/ mail.ccl.net/chemistry/sub unsub.shtml. Send Email To Jan Labanowski (the Administrator of this Web Portal) if you have problems with reaching this domain by regular email. This page allows you to send me file attachments (look at the bottom of the page). Send Email To CCL Members, Admin and request a Job Opening Advertisement. Uploading file to CCL Site. Atomic Scale Design Network. Become CCL Supporting Member:. Send E-mail to CCL Administrators. Page Supported by Nano and Giga Solutions. Domain...
An Informal AMBER Small Molecule Force Field: parm@Frosst
http://mail.ccl.net/cca/data/parm_at_Frosst
Http:/ mail.ccl.net/cca/data/parm at Frosst/index.shtml. An Informal AMBER Small Molecule Force Field: parm@Frosst. Zinc p f types.txt. Mmff94 p f type. Use CCL Paid Services to support its operation. An Informal AMBER Small Molecule Force Field: parm@Frosst. Christopher Bayly, lead the effort between (1992-2010). Daniel McKay, contributed between (1997-2010). Jean-François Truchon, contributed between (2002-2010). File List for parm at Frosst Directory. Parm Frosst note.pdf. Mmff94 am1bcc atypes.txt.
Cygwin Installation
http://mail.ccl.net/cca/software/UNIX/cygwin/index.html
Creating a productive UNIX-like environment under Windoz. Jan Labanowski, Computational Chemistry List, Ltd. When you click on pics, they should open in another tab/window in their natural size. I was adding to this document over the years. It is inconsistent since some notes come from WindowsXP, some from Windows7 and of course, the Cygwin underwent changes over this period of time. So be prepared that the current pics will be slightly different than the ones you see in the doc. Do you have Administrato...
Installing
http://mail.ccl.net/cca/software/UNIX/VagrantAndCygwin/index.html
To Work with Cygwin. Originally written by Jan Labanowski (jkl at ccl dot net), Computational Chemistry List, Ltd on Jan 12, 2015. Click on images to get the original size screen dump. This is not an organized tutorial or an overview. This is just a brain dump. That lists some approaches to run Vagrant. That I used over time. You may learn a lot, if you did not do Vagrant. My primary goal is to take the fear from trying Vagrant. This write-up is specifically for using Vagrant. The keyword here is Cygwin.
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CCL Home
Dotmatics: Informatics for everyone. Http:/ mail.ccl.net/index.shtml. Send Email To Jan Labanowski (the Administrator of this Web Portal) if you have problems with reaching this domain by regular email. This page allows you to send me file attachments (look at the bottom of the page). Send Email To CCL Members, Admin and request a Job Opening Advertisement. Uploading file to CCL Site. Atomic Scale Design Network. Become CCL Supporting Member:. Send E-mail to CCL Administrators. Sept 18-22, 2017. The Comp...
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