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4 Replies
1807 Views |
March 22, 2018, 02:47:47 AMby Junran Lu |
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1_2_ethanediol TraPPE modell
Started by Christopher |
6 Replies
1027 Views |
November 04, 2020, 11:02:53 AM by Christopher |
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Average configuration as restart-file
Started by ae213 |
1 Replies
653 Views |
August 31, 2019, 07:37:30 PM by David Dubbeldam |
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BarrierCrossing examples?
Started by haoyuan |
1 Replies
1057 Views |
May 08, 2018, 01:38:05 PM by David Dubbeldam |
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Blocking pockets in MD?
Started by Kajum Safiullin |
2 Replies
753 Views |
October 17, 2019, 11:38:26 AM by Kajum Safiullin |
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Change input file when restart
Started by Haolong |
4 Replies
895 Views |
January 10, 2021, 03:34:49 PM by mhaeri |
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Charge equilibration for MOFs
Started by ignas |
3 Replies
1123 Views |
October 24, 2020, 08:59:20 PM by behra |
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ChargeFromChargeEquilibration
Started by anne |
4 Replies
2127 Views |
January 28, 2019, 07:57:40 PM by David Dubbeldam |
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chemical potential in input file
Started by ae213 |
2 Replies
1308 Views |
October 01, 2018, 08:06:52 PM by ae213 |
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Choosing space group
Started by Eliyhau |
1 Replies
585 Views |
April 09, 2020, 09:42:02 AM by David Dubbeldam |
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CIF files help
Started by petersbk |
3 Replies
1612 Views |
July 06, 2019, 04:24:19 PM by David Dubbeldam |
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1 Replies
586 Views |
August 31, 2019, 07:32:41 PM by David Dubbeldam |
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Configuration Files
Started by arsgk |
1 Replies
979 Views |
November 26, 2018, 06:54:08 PM by David Dubbeldam |
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Continuing cycles
Started by nithin1532 |
1 Replies
699 Views |
July 06, 2019, 04:26:03 PM by David Dubbeldam |
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1 Replies
946 Views |
July 06, 2019, 04:31:16 PM by David Dubbeldam |
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2 Replies
762 Views |
July 14, 2020, 10:47:07 PM by manuelbenavent |
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Density by NPT MC and MD
Started by ae213 |
1 Replies
660 Views |
August 20, 2020, 12:18:20 PM by dubbelda |
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Density histograms
Started by Haolong |
2 Replies
267 Views |
February 17, 2021, 05:46:06 PM by debelan1 |
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Error in connectivity
Started by shabnam naderlou |
7 Replies
2911 Views |
September 29, 2018, 06:50:46 AM by David Dubbeldam |
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Error in connectivity
Started by Monica_Gao |
3 Replies
382 Views |
December 27, 2020, 08:46:41 AM by Monica_Gao |
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