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: 21,304 0 21,304 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: 29,011 0 29,011 05/28/12 09:54 PM by rmv QMMM Interaction Energy by bnumn 12/12/19 08:26 PM bnumn Replies: 2 Views: 253 2 253 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: 230 2 230 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: 386 3 386 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: 188 0 188 07/01/19 07:46 AM by Jinfeng QM-MM electrostatic force by inakollu 03/28/19 03:02 AM inakollu Replies: 0 Views: 246 0 246 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: 1,966 1 1,966 06/26/18 10:37 AM by Ripplet adding two QQH link atoms to one nucleic acid residue by Nadia 03/08/18 05:40 PM Nadia Replies: 0 Views: 544 0 544 03/08/18 05:40 PM by Nadia QM/MM Script by kelmcguir 01/10/18 07:12 PM kelmcguir Replies: 0 Views: 642 0 642 01/10/18 07:12 PM by kelmcguir Linking Gamess-US with Charmm 12all by akshay 01/10/18 05:09 AM prabhash Replies: 13 Views: 7,740 13 7,740 01/10/18 05:09 AM by prabhash QM/MM Interface Question by kelmcguir 12/23/17 11:48 PM rmv Replies: 6 Views: 3,035 6 3,035 12/23/17 11:48 PM by rmv

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