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molecular dynamics not getting started
Started by vsharma |
1 Replies
6341 Views |
April 29, 2013, 10:34:58 AMby Arnim |
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how to find global minimum?
Started by jitmukherjeechem |
0 Replies
6407 Views |
June 20, 2012, 02:43:31 PM by jitmukherjeechem |
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0 Replies
6439 Views |
June 17, 2017, 10:54:02 AM by makhlaghi |
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0 Replies
6475 Views |
September 09, 2008, 10:48:09 PM by Alex2007 |
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Geometry optimization of an excited state
Started by dbk80 |
1 Replies
6494 Views |
October 12, 2016, 10:23:09 AM by dbk80 |
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temperature in molecular dynamics
Started by LLeppert |
1 Replies
6541 Views |
February 09, 2012, 03:27:09 PM by Arnim |
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problem with "jobex -ex"
Started by kankanxiaoya |
1 Replies
6554 Views |
December 09, 2011, 09:00:35 AM by uwe |
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IRC (internal reaction coordinate)
Started by jbaltrus |
3 Replies
6574 Views |
March 17, 2012, 07:22:43 PM by Arnim |
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1 Replies
6588 Views |
May 19, 2010, 07:40:40 PM by jbaltrus |
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2 Replies
6686 Views |
October 24, 2011, 07:16:16 PM by Ian K |
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Turbomole in two different machines
Started by kmkumar |
1 Replies
6705 Views |
February 05, 2009, 03:29:58 PM by christof.haettig |
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2 Replies
6745 Views |
November 13, 2012, 02:45:05 PM by vvallet |
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Doubts with Molecular Orbitals
Started by inozerox |
3 Replies
6746 Views |
April 02, 2016, 02:54:53 PM by inozerox |
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FROG module
Started by Olynes |
1 Replies
6881 Views |
January 16, 2015, 10:03:44 AM by uwe |
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Optimization error with symmetry
Started by ylniu |
0 Replies
6888 Views |
July 09, 2009, 09:09:12 AM by ylniu |
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2 Replies
6975 Views |
October 01, 2015, 10:58:48 AM by christof.haettig |
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QMMM optimization using TURBOMOLE
Started by payelsahu |
0 Replies
7049 Views |
April 20, 2017, 08:58:09 AM by payelsahu |
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1 Replies
7057 Views |
January 11, 2012, 10:07:33 PM by golden |
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minimum energey crossing point (mecp)
Started by adam.kubas |
0 Replies
7073 Views |
September 13, 2009, 11:37:19 AM by adam.kubas |
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doublet excited state optimization
Started by lyzhu |
0 Replies
7088 Views |
December 15, 2009, 04:50:42 PM by lyzhu |
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