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1 Replies
2514 Views |
February 04, 2024, 08:34:55 PMby flzheng525 |
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1 Replies
2233 Views |
December 17, 2023, 11:18:13 PM by uwe |
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1 Replies
2903 Views |
January 13, 2023, 11:19:55 AM by Arnim |
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Thermostat usage in Molecular dynamics
Started by JakubV |
1 Replies
2590 Views |
January 13, 2023, 11:10:39 AM by Arnim |
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Gradient Convergence Control
Started by Dempsey |
0 Replies
3071 Views |
April 07, 2022, 12:16:05 PM by Dempsey |
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dipole moment from MD run
Started by sruta |
0 Replies
2871 Views |
February 14, 2022, 10:17:55 AM by sruta |
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ERROR in convgrep step
Started by martijn |
2 Replies
3340 Views |
November 23, 2021, 11:44:57 PM by martijn |
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1 Replies
4178 Views |
October 23, 2021, 11:53:50 AM by prasanta13 |
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UFF with external electric field
Started by JakubV |
0 Replies
3212 Views |
July 31, 2021, 11:20:39 PM by JakubV |
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2 Replies
3659 Views |
June 14, 2021, 04:40:04 PM by Arnim |
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2 Replies
7130 Views |
June 06, 2021, 12:23:03 AM by JakubV |
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2 Replies
3828 Views |
March 10, 2021, 11:46:49 AM by Krzmbrzl |
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8 Replies
5871 Views |
December 01, 2020, 06:41:36 PM by uwe |
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Implicit solvation in GFN2-xTB
Started by dw1032 |
0 Replies
4146 Views |
August 31, 2020, 10:49:11 AM by dw1032 |
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Pointing jobex to use ridft_smp
Started by jfurness |
2 Replies
3957 Views |
August 26, 2020, 06:41:06 PM by jfurness |
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0 Replies
4440 Views |
February 12, 2020, 01:34:56 PM by imardio |
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3 Replies
7458 Views |
March 26, 2019, 10:06:34 AM by uwe |
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1 Replies
7957 Views |
September 29, 2017, 12:07:15 PM by uwe |
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0 Replies
6273 Views |
June 17, 2017, 10:54:02 AM by makhlaghi |
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QMMM optimization using TURBOMOLE
Started by payelsahu |
0 Replies
6881 Views |
April 20, 2017, 08:58:09 AM by payelsahu |
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