Pages: [1] 2
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Choosing space group
Started by Eliyhau |
0 Replies
27 Views |
March 12, 2020, 01:43:23 PMby Eliyhau |
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2 Replies
165 Views |
February 12, 2020, 05:49:39 AM by Haolong |
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0 Replies
110 Views |
December 25, 2019, 09:34:18 AM by jeonghyeon |
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TraPPE-EH force field in molecule definitions
Started by GIV |
1 Replies
274 Views |
December 05, 2019, 04:28:53 PM by David Dubbeldam |
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Charge equilibration for MOFs
Started by ignas |
2 Replies
314 Views |
October 18, 2019, 11:57:45 AM by ignas |
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Blocking pockets in MD?
Started by Kajum Safiullin |
2 Replies
226 Views |
October 17, 2019, 10:38:26 AM by Kajum Safiullin |
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Raspa taking more time
Started by shivanand |
1 Replies
379 Views |
September 12, 2019, 07:15:15 PM by David Dubbeldam |
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Average configuration as restart-file
Started by aemelianova |
1 Replies
287 Views |
August 31, 2019, 06:37:30 PM by David Dubbeldam |
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1 Replies
286 Views |
August 31, 2019, 06:34:51 PM by David Dubbeldam |
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1 Replies
229 Views |
August 31, 2019, 06:32:41 PM by David Dubbeldam |
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MSD: increasing the length of the simulation
Started by VaeS |
1 Replies
443 Views |
July 06, 2019, 03:32:55 PM by David Dubbeldam |
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1 Replies
410 Views |
July 06, 2019, 03:31:16 PM by David Dubbeldam |
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Continuing cycles
Started by nithin1532 |
1 Replies
325 Views |
July 06, 2019, 03:26:03 PM by David Dubbeldam |
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CIF files help
Started by petersbk |
3 Replies
729 Views |
July 06, 2019, 03:24:19 PM by David Dubbeldam |
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1 Replies
360 Views |
July 06, 2019, 03:09:22 PM by David Dubbeldam |
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Understanding the Framework option
Started by shivanand |
1 Replies
390 Views |
July 06, 2019, 03:05:43 PM by David Dubbeldam |
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7 Replies
923 Views |
April 23, 2019, 01:02:41 PM by petersbk |
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ChargeFromChargeEquilibration
Started by anne |
4 Replies
941 Views |
January 28, 2019, 07:57:40 PM by David Dubbeldam |
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Single Point Energy Calculation?
Started by sen |
1 Replies
512 Views |
January 17, 2019, 04:58:36 PM by David Dubbeldam |
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Configuration Files
Started by arsgk |
1 Replies
616 Views |
November 26, 2018, 06:54:08 PM by David Dubbeldam |
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