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: 24,520 0 24,520 12/30/13 02:42 PM by tim READ BEFORE POSTING; updated March 2016 by rmv 05/28/12 09:54 PM rmv Replies: 0 Views: 32,391 0 32,391 05/28/12 09:54 PM by rmv CHARMM constrained QM/MM dynamics crashes by sreeganb 01/30/21 08:06 PM rmv Replies: 1 Views: 77 1 77 01/30/21 08:06 PM by rmv Segmentation fault - invalid memory reference in QMMM minimi by vht 01/25/21 06:11 AM vht Replies: 1 Views: 99 1 99 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: 63 0 63 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: 632 4 632 08/12/20 08:59 AM by Corey Taylor ENDselection terminator missing by vht 08/05/20 03:21 PM rmv Replies: 1 Views: 194 1 194 08/05/20 03:21 PM by rmv No parameter for QM-link atom by vht 08/05/20 06:23 AM vht Replies: 3 Views: 319 3 319 08/05/20 06:23 AM by vht QMMM DFT vs MP2 in Ln/An-protein systems by Corey Taylor 07/06/20 08:31 AM Corey Taylor Replies: 0 Views: 199 0 199 07/06/20 08:31 AM by Corey Taylor QMMM Interaction Energy by bnumn 12/12/19 08:26 PM bnumn Replies: 2 Views: 876 2 876 12/12/19 08:26 PM by bnumn Error in type "brae" mass '78.918300' not found in map by tyrion_jj 11/19/19 06:45 AM tyrion_jj Replies: 2 Views: 633 2 633 11/19/19 06:45 AM by tyrion_jj QMMM psf question - segfault by Corey Taylor 09/26/19 03:08 PM rmv Replies: 3 Views: 909 3 909 09/26/19 03:08 PM by rmv

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