ChemShell project
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Units used for Step & Gradient in chemshell by helloworld » Sun, 21/02/2021 - 06:13 |
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by ylu Tue, 02/03/2021 - 12:35 |
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TS search by helloworld » Tue, 14/07/2020 - 14:00 |
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by helloworld Thu, 16/07/2020 - 07:38 |
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How to generate Fragment file with pair of connections listed by helloworld » Mon, 29/06/2020 - 14:51 |
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by helloworld Mon, 29/06/2020 - 14:51 |
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PRFO not suitable for larger systems ? by helloworld » Wed, 24/06/2020 - 09:00 |
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by tomkeal Wed, 24/06/2020 - 10:20 |
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PRFO TS optimisation getting intermediate structure by helloworld » Wed, 24/06/2020 - 08:03 |
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by helloworld Wed, 24/06/2020 - 08:03 |
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Getting Intermediate structure pdb file during optimisation by helloworld » Sat, 20/06/2020 - 10:38 |
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by helloworld Mon, 22/06/2020 - 14:53 |
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PRFO TS optimisation by helloworld » Fri, 12/06/2020 - 14:45 |
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by tomkeal Mon, 15/06/2020 - 18:04 |
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Transition mode visualizatiion by helloworld » Fri, 22/05/2020 - 07:04 |
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by tomkeal Fri, 29/05/2020 - 10:44 |
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Force module keyword formula by helloworld » Thu, 21/05/2020 - 13:56 |
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by tomkeal Fri, 29/05/2020 - 10:22 |
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Cyclic failure at residue. by helloworld » Tue, 12/05/2020 - 13:38 |
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by helloworld Wed, 13/05/2020 - 08:07 |
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TS optimisation - cartesian by helloworld » Sun, 10/05/2020 - 06:38 |
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by tomkeal Tue, 12/05/2020 - 14:02 |
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Cartesian vs HDLC by helloworld » Tue, 12/05/2020 - 06:11 |
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by tomkeal Tue, 12/05/2020 - 13:58 |
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TS optimisation with hdlc-opt by helloworld » Mon, 11/05/2020 - 13:54 |
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by tomkeal Tue, 12/05/2020 - 13:54 |
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dl-find error by helloworld » Sat, 02/05/2020 - 06:41 |
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by tomkeal Mon, 04/05/2020 - 22:16 |
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QM software by helloworld » Fri, 24/04/2020 - 06:50 |
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by tomkeal Mon, 04/05/2020 - 22:12 |
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Link Atoms getting added at wrong places by helloworld » Sat, 21/03/2020 - 12:59 |
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by tomkeal Wed, 25/03/2020 - 15:08 |
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Active Region in qm/mm calculation by helloworld » Wed, 26/02/2020 - 15:30 |
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by tomkeal Fri, 28/02/2020 - 11:08 |
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2d scan in Chemshell by helloworld » Thu, 30/01/2020 - 10:12 |
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by tomkeal Fri, 31/01/2020 - 14:37 |
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Putting a basis set on all hydrogens. by helloworld » Thu, 16/01/2020 - 09:46 |
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by tomkeal Fri, 17/01/2020 - 11:36 |
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HDLC failure gauge: 2640 Cyclic failure at residue 11 by helloworld » Wed, 04/09/2019 - 10:24 |
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by tomkeal Thu, 14/11/2019 - 12:16 |
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the parameters setting about substrate by yueyue » Wed, 24/04/2019 - 13:46 |
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by yueyue Wed, 24/04/2019 - 13:46 |
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Scan job showing residue conversion error by helloworld » Wed, 09/01/2019 - 19:37 |
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by tomkeal Fri, 11/01/2019 - 11:54 |
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The selection of transition state optimization method？ by tyrion » Tue, 08/01/2019 - 01:54 |
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by tyrion Wed, 09/01/2019 - 11:30 |
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Single Point Enrgy scan job not running by helloworld » Thu, 06/12/2018 - 07:52 |
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by tomkeal Wed, 02/01/2019 - 12:18 |
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Void Formation in MM region by k.watson14 » Wed, 14/11/2018 - 10:52 |
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by david_gunn Tue, 20/11/2018 - 09:40 |
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