Pages: [1] 2
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4 Replies
722 Views |
March 22, 2018, 02:47:47 AMby Junran Lu |
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The usage of block_file
Started by Junran Lu |
4 Replies
573 Views |
March 24, 2018, 04:16:52 AM by Junran Lu |
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turning on polarizability
Started by lifesmiel |
1 Replies
394 Views |
March 28, 2018, 08:18:16 PM by David Dubbeldam |
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Minimization
Started by Junran Lu |
2 Replies
384 Views |
April 10, 2018, 03:35:53 AM by Junran Lu |
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MoleculeDefinition--critical constants
Started by Junran Lu |
3 Replies
430 Views |
April 13, 2018, 08:14:46 AM by David Dubbeldam |
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Question on Pseudo_atom.def
Started by Junran Lu |
1 Replies
525 Views |
April 25, 2018, 04:59:16 PM by David Dubbeldam |
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1 Replies
432 Views |
April 25, 2018, 05:00:05 PM by David Dubbeldam |
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BarrierCrossing examples?
Started by haoyuan |
1 Replies
414 Views |
May 08, 2018, 12:38:05 PM by David Dubbeldam |
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The flexibility of IRMOF-1
Started by zjuhjx |
3 Replies
514 Views |
May 14, 2018, 07:18:21 AM by zjuhjx |
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3 Replies
570 Views |
June 04, 2018, 12:39:19 PM by Pezhman Zarabadi-Poor |
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Error in connectivity
Started by shabnam naderlou |
7 Replies
650 Views |
September 29, 2018, 05:50:46 AM by David Dubbeldam |
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chemical potential in input file
Started by aemelianova |
2 Replies
396 Views |
October 01, 2018, 07:06:52 PM by aemelianova |
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Error while using "Grid" option
Started by Vardhan |
3 Replies
374 Views |
November 12, 2018, 11:42:57 AM by David Dubbeldam |
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PartionFunction in Reactive Ensemble
Started by Junran Lu |
2 Replies
262 Views |
November 13, 2018, 03:59:12 AM by Junran Lu |
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Configuration Files
Started by arsgk |
1 Replies
242 Views |
November 26, 2018, 06:54:08 PM by David Dubbeldam |
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Single Point Energy Calculation?
Started by sen |
1 Replies
158 Views |
January 17, 2019, 04:58:36 PM by David Dubbeldam |
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ChargeFromChargeEquilibration
Started by anne |
4 Replies
277 Views |
January 28, 2019, 07:57:40 PM by David Dubbeldam |
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MSD: increasing the length of the simulation
Started by VaeS |
0 Replies
44 Views |
April 11, 2019, 12:45:53 PM by VaeS |
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7 Replies
125 Views |
April 23, 2019, 01:02:41 PM by petersbk |
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how to make a forcefield file
Started by Einstein |
0 Replies
12 Views |
May 16, 2019, 01:17:17 AM by Einstein |
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