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: 22,581 0 22,581 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: 30,353 0 30,353 05/28/12 09:54 PM by rmv SCCDFTB not converged in qm/mm minimization step by vht 08/12/20 08:59 AM Corey Taylor Replies: 4 Views: 229 4 229 08/12/20 08:59 AM by Corey Taylor ENDselection terminator missing by vht 08/05/20 03:21 PM rmv Replies: 1 Views: 58 1 58 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: 114 3 114 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: 85 0 85 07/06/20 08:31 AM by Corey Taylor QMMM Interaction Energy by bnumn 12/12/19 08:26 PM bnumn Replies: 2 Views: 504 2 504 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: 403 2 403 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: 571 3 571 09/26/19 03:08 PM by rmv Bad real number in item 4 of list input by Jinfeng 07/01/19 07:46 AM Jinfeng Replies: 0 Views: 276 0 276 07/01/19 07:46 AM by Jinfeng QM-MM electrostatic force by inakollu 03/28/19 03:02 AM inakollu Replies: 0 Views: 346 0 346 03/28/19 03:02 AM by inakollu c37b1 with SCCDFTB - Segmentation fault by pyp 06/26/18 10:37 AM Ripplet Replies: 1 Views: 2,128 1 2,128 06/26/18 10:37 AM by Ripplet

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