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15 Replies
5948 Views |
September 28, 2021, 06:52:03 PMby rshukre |
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7 Replies
4101 Views |
April 23, 2019, 02:02:41 PM by petersbk |
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Error in connectivity
Started by shabnam naderlou |
7 Replies
5504 Views |
September 29, 2018, 06:50:46 AM by David Dubbeldam |
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1_2_ethanediol TraPPE modell
Started by Christopher |
6 Replies
2759 Views |
November 04, 2020, 11:02:53 AM by Christopher |
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5 Replies
1650 Views |
March 14, 2022, 07:05:28 PM by David Dubbeldam |
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ChargeFromChargeEquilibration
Started by anne |
4 Replies
3687 Views |
January 28, 2019, 07:57:40 PM by David Dubbeldam |
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Change input file when restart
Started by Haolong |
4 Replies
2186 Views |
January 10, 2021, 03:34:49 PM by mhaeri |
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4 Replies
3482 Views |
March 22, 2018, 02:47:47 AM by Junran Lu |
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ReturnPseudoAtomNumber Error
Started by jelco |
3 Replies
2103 Views |
November 28, 2020, 08:21:11 PM by David Dubbeldam |
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3 Replies
1599 Views |
November 04, 2020, 09:53:18 AM by Christopher |
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3 Replies
1711 Views |
January 13, 2021, 07:03:01 PM by David Dubbeldam |
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CIF files help
Started by petersbk |
3 Replies
3799 Views |
July 06, 2019, 04:24:19 PM by David Dubbeldam |
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Charge equilibration for MOFs
Started by ignas |
3 Replies
2496 Views |
October 24, 2020, 08:59:20 PM by behra |
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Density histograms
Started by Haolong |
3 Replies
1720 Views |
June 08, 2021, 02:28:59 PM by David Dubbeldam |
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Error in connectivity
Started by Monica_Gao |
3 Replies
1515 Views |
December 27, 2020, 08:46:41 AM by Monica_Gao |
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FIXED_BOND vs RIGID_BOND
Started by omarove |
3 Replies
1221 Views |
August 11, 2021, 08:53:44 AM by David Dubbeldam |
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MoleculeDefinition--critical constants
Started by Junran Lu |
3 Replies
2404 Views |
April 13, 2018, 09:14:46 AM by David Dubbeldam |
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3 Replies
2124 Views |
July 14, 2020, 12:55:30 PM by dubbelda |
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The flexibility of IRMOF-1
Started by zjuhjx |
3 Replies
2921 Views |
May 14, 2018, 08:18:21 AM by zjuhjx |
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3 Replies
2904 Views |
June 04, 2018, 01:39:19 PM by Pezhman Zarabadi-Poor |
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