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Molecular Dynamics

Miércoles, 22 de septiembre de 2010. Turn Vim into a bash IDE. Http:/ www.linux.com/archive/articles/114359. Turn Vim into a bash IDE. By Joe 'Zonker' Brockmeier. On June 11, 2007 (9:01:00 PM). By itself, Vim is one of the best editors for shell scripting. With a little tweaking, however, you can turn Vim into a full-fledged IDE for writing scripts. You could do it yourself, or you can just install Fritz Mehner's Bash Support. Viernes, 4 de junio de 2010. Package. In order for these variables to be i...

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Miércoles, 22 de septiembre de 2010. Turn Vim into a bash IDE. Http:/ www.linux.com/archive/articles/114359. Turn Vim into a bash IDE. By Joe 'Zonker' Brockmeier. On June 11, 2007 (9:01:00 PM). By itself, Vim is one of the best editors for shell scripting. With a little tweaking, however, you can turn Vim into a full-fledged IDE for writing scripts. You could do it yourself, or you can just install Fritz Mehner's Bash Support. Viernes, 4 de junio de 2010. Package. In order for these variables to be i...

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Molecular Dynamics | moldyn.blogspot.com Reviews

https://moldyn.blogspot.com

Miércoles, 22 de septiembre de 2010. Turn Vim into a bash IDE. Http:/ www.linux.com/archive/articles/114359. Turn Vim into a bash IDE. By Joe 'Zonker' Brockmeier. On June 11, 2007 (9:01:00 PM). By itself, Vim is one of the best editors for shell scripting. With a little tweaking, however, you can turn Vim into a full-fledged IDE for writing scripts. You could do it yourself, or you can just install Fritz Mehner's Bash Support. Viernes, 4 de junio de 2010. Package. In order for these variables to be i...

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Molecular Dynamics: MOLCAS command line " molcas help basis XX"

http://moldyn.blogspot.com/2010/06/molcas-command-line-molcas-help-basis.html

Miércoles, 2 de junio de 2010. MOLCAS command line molcas help basis XX. Type molcas help basis A to list basis set for the element A. Molcas help basis Pd. Recommended basis sets for Pd. PdANO-RCC-MB Pd.ANO-RCC.5s4p2d. . 160;Other basis sets for Pd. PdECPHW.5s6p4d.3s3p2d.18e-LANL2DZ. PdANO-DK3.Tsuchiya.23s19p12d.4s3p2d. Pdano-rcc.Roos.21s18p13d6f4g2h.10s9p9d6f4g2h. PdECPRakowitz.11s8p7d3f.5s4p4d1f.18e-NP-AIMP. ...PdRaf-r.Wahlgren.17s13p9d2f&#4...MOLCA...

2

Molecular Dynamics: abril 2010

http://moldyn.blogspot.com/2010_04_01_archive.html

Lunes, 26 de abril de 2010. Generador de enlaces a librerias en linea! Generador de enlaces a librerias! Http:/ software.intel.com/en-us/articles/intel-mkl-link-line-advisor/. Suscribirse a: Entradas (Atom). Generador de enlaces a librerias en linea! Ver todo mi perfil.

3

Molecular Dynamics: septiembre 2008

http://moldyn.blogspot.com/2008_09_01_archive.html

Martes, 23 de septiembre de 2008. Running Gaussian in ITQCALC-machines. Before using Gaussian's newzmat tool set the memory stack to "unbound" by issuing the following command:. Martes, 9 de septiembre de 2008. RMSD from HISTORY file. How to calculate RMSD and Trajectories for adsorbates in zeolites from a DL POLY HISTORY FILE:. 1 Extract the Adsorbates from the HISTORY file using the his2hc.awk script. Awk -f his2hc.awk. 2 Create files fort.11. Echo " 2 11 9999 0.1" fort.11. Echo "HISTORY hc com. Calcul...

4

Molecular Dynamics: MOLCAS command line " molcas help"

http://moldyn.blogspot.com/2010/06/molcas-command-line-molcas-help.html

Miércoles, 2 de junio de 2010. MOLCAS command line molcas help. Welcome to molcas help! Type molcas help module to get the list of keywords. Type molcas help module keyword to get the description of keyword. Type molcas help -t text to locate text. Type molcas help ENVIRONMENT to list ENV variables. Type molcas help EMIL to list EMIL commands. Type molcas help basis A to list basis set for the element A. ALASKA CASPT2 CASVB CCSDT CHCC CHECK CHT3 CIISCMNG CPF EMIL ESPF ESPF. Ver todo mi perfil.

5

Molecular Dynamics: mayo 2010

http://moldyn.blogspot.com/2010_05_01_archive.html

Lunes, 24 de mayo de 2010. Copy single file to multiple directories. So I need to copy Filename1 to all of the Child Directories. Ntstart- b find parent directory -type d -exec cp parent directory / Filename1 {}/ ; /b! Or in a bourne/shell script :. If you have other junk in the parent dir but a pattern that matches all subdirs (eg Child Directory*), you can do this (bourne/ksh/bash):. Ntstart- b for subdir in parent directory / pattern ; do cp parent directory / Filename1 ${subdir}/ ; done /b!

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Molecular Dynamics

Miércoles, 22 de septiembre de 2010. Turn Vim into a bash IDE. Http:/ www.linux.com/archive/articles/114359. Turn Vim into a bash IDE. By Joe 'Zonker' Brockmeier. On June 11, 2007 (9:01:00 PM). By itself, Vim is one of the best editors for shell scripting. With a little tweaking, however, you can turn Vim into a full-fledged IDE for writing scripts. You could do it yourself, or you can just install Fritz Mehner's Bash Support. Viernes, 4 de junio de 2010. Package. In order for these variables to be i...

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