CHARMM Development Project Forums CHARMM Interfaces QM/MM Discussion and Questions

Thread Title Replies Views Last Post IMPORTANT NOTE FOR UNREGISTERED USERS by tim 12/30/13 02:42 PM tim Replies: 0 Views: 31,421 0 31,421 12/30/13 02:42 PM by tim READ BEFORE POSTING (please) by rmv 05/28/12 09:54 PM rmv Replies: 0 Views: 38,897 0 38,897 05/28/12 09:54 PM by rmv QChem input file generated by CHARMM in QM/MM by Alpha 01/13/22 05:22 PM Alpha Replies: 2 Views: 571 2 571 01/13/22 05:22 PM by Alpha Adding more than 1 link atom in QM/MM by Alpha 01/12/22 07:23 AM Alpha Replies: 0 Views: 257 0 257 01/12/22 07:23 AM by Alpha QMMM with the CHARMM-TURBOMOLE interface by sreeganb 12/15/21 07:14 PM sreeganb Replies: 0 Views: 266 0 266 12/15/21 07:14 PM by sreeganb Hydrogens Came off & Sugar Ring Twisted during Minimization by HBfrindle 06/08/21 08:38 PM HBfrindle Replies: 0 Views: 767 0 767 06/08/21 08:38 PM by HBfrindle QCHEM and umbrella sampling by bnumn 04/26/21 01:16 PM Jinfeng Replies: 1 Views: 609 1 609 04/26/21 01:16 PM by Jinfeng CHARMM constrained QM/MM dynamics crashes by sreeganb 03/25/21 06:44 AM sreeganb Replies: 2 Views: 833 2 833 03/25/21 06:44 AM by sreeganb Segmentation fault - invalid memory reference in QMMM minimi by vht 01/25/21 06:11 AM vht Replies: 1 Views: 890 1 890 01/25/21 06:11 AM by vht Reaction dynamcs with umbrella sampling by ErandiUSJP 01/15/21 04:46 AM ErandiUSJP Replies: 0 Views: 408 0 408 01/15/21 04:46 AM by ErandiUSJP SCCDFTB not converged in qm/mm minimization step by vht 08/12/20 08:59 AM Corey Taylor Replies: 4 Views: 1,719 4 1,719 08/12/20 08:59 AM by Corey Taylor ENDselection terminator missing by vht 08/05/20 03:21 PM rmv Replies: 1 Views: 731 1 731 08/05/20 03:21 PM by rmv

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