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4 Replies
1357 Views |
March 22, 2018, 02:47:47 AMby Junran Lu |
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1_2_ethanediol TraPPE modell
Started by Christopher |
5 Replies
172 Views |
August 20, 2020, 11:31:22 AM by dubbelda |
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Average configuration as restart-file
Started by aemelianova |
1 Replies
415 Views |
August 31, 2019, 06:37:30 PM by David Dubbeldam |
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BarrierCrossing examples?
Started by haoyuan |
1 Replies
806 Views |
May 08, 2018, 12:38:05 PM by David Dubbeldam |
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Blocking pockets in MD?
Started by Kajum Safiullin |
2 Replies
398 Views |
October 17, 2019, 10:38:26 AM by Kajum Safiullin |
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Change input file when restart
Started by Haolong |
0 Replies
33 Views |
August 29, 2020, 03:13:50 AM by Haolong |
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Charge equilibration for MOFs
Started by ignas |
2 Replies
481 Views |
October 18, 2019, 11:57:45 AM by ignas |
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ChargeFromChargeEquilibration
Started by anne |
4 Replies
1616 Views |
January 28, 2019, 07:57:40 PM by David Dubbeldam |
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chemical potential in input file
Started by aemelianova |
2 Replies
994 Views |
October 01, 2018, 07:06:52 PM by aemelianova |
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Choosing space group
Started by Eliyhau |
1 Replies
219 Views |
April 09, 2020, 08:42:02 AM by David Dubbeldam |
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CIF files help
Started by petersbk |
3 Replies
1157 Views |
July 06, 2019, 03:24:19 PM by David Dubbeldam |
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1 Replies
347 Views |
August 31, 2019, 06:32:41 PM by David Dubbeldam |
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Configuration Files
Started by arsgk |
1 Replies
752 Views |
November 26, 2018, 06:54:08 PM by David Dubbeldam |
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Continuing cycles
Started by nithin1532 |
1 Replies
473 Views |
July 06, 2019, 03:26:03 PM by David Dubbeldam |
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1 Replies
668 Views |
July 06, 2019, 03:31:16 PM by David Dubbeldam |
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2 Replies
93 Views |
July 14, 2020, 09:47:07 PM by manuelbenavent |
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Density by NPT MC and MD
Started by aemelianova |
1 Replies
65 Views |
August 20, 2020, 11:18:20 AM by dubbelda |
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Error in connectivity
Started by shabnam naderlou |
7 Replies
2200 Views |
September 29, 2018, 05:50:46 AM by David Dubbeldam |
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Error while using "Grid" option
Started by Vardhan |
3 Replies
1005 Views |
November 12, 2018, 11:42:57 AM by David Dubbeldam |
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0 Replies
248 Views |
December 25, 2019, 09:34:18 AM by jeonghyeon |
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