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0 Replies
83 Views |
December 25, 2019, 09:34:18 AMby jeonghyeon |
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Single Point Energy Calculation?
Started by sen |
1 Replies
477 Views |
January 17, 2019, 04:58:36 PM by David Dubbeldam |
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Average configuration as restart-file
Started by aemelianova |
1 Replies
252 Views |
August 31, 2019, 06:37:30 PM by David Dubbeldam |
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1 Replies
247 Views |
August 31, 2019, 06:34:51 PM by David Dubbeldam |
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Understanding the Framework option
Started by shivanand |
1 Replies
352 Views |
July 06, 2019, 03:05:43 PM by David Dubbeldam |
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Configuration Files
Started by arsgk |
1 Replies
583 Views |
November 26, 2018, 06:54:08 PM by David Dubbeldam |
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1 Replies
321 Views |
July 06, 2019, 03:09:22 PM by David Dubbeldam |
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1 Replies
375 Views |
July 06, 2019, 03:31:16 PM by David Dubbeldam |
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Continuing cycles
Started by nithin1532 |
1 Replies
296 Views |
July 06, 2019, 03:26:03 PM by David Dubbeldam |
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1 Replies
200 Views |
August 31, 2019, 06:32:41 PM by David Dubbeldam |
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Raspa taking more time
Started by shivanand |
1 Replies
333 Views |
September 12, 2019, 07:15:15 PM by David Dubbeldam |
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BarrierCrossing examples?
Started by haoyuan |
1 Replies
654 Views |
May 08, 2018, 12:38:05 PM by David Dubbeldam |
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1 Replies
752 Views |
April 25, 2018, 05:00:05 PM by David Dubbeldam |
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Question on Pseudo_atom.def
Started by Junran Lu |
1 Replies
886 Views |
April 25, 2018, 04:59:16 PM by David Dubbeldam |
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TraPPE-EH force field in molecule definitions
Started by GIV |
1 Replies
229 Views |
December 05, 2019, 04:28:53 PM by David Dubbeldam |
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turning on polarizability
Started by lifesmiel |
1 Replies
647 Views |
March 28, 2018, 08:18:16 PM by David Dubbeldam |
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MSD: increasing the length of the simulation
Started by VaeS |
1 Replies
393 Views |
July 06, 2019, 03:32:55 PM by David Dubbeldam |
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Blocking pockets in MD?
Started by Kajum Safiullin |
2 Replies
191 Views |
October 17, 2019, 10:38:26 AM by Kajum Safiullin |
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Charge equilibration for MOFs
Started by ignas |
2 Replies
273 Views |
October 18, 2019, 11:57:45 AM by ignas |
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2 Replies
110 Views |
February 12, 2020, 05:49:39 AM by Haolong |
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