|
137 | 137 | " author = {Fiorin, Giacomo and Marinelli, Fabrizio and Forrest, Lucy R. and Chen, Haochuan and Chipot, Christophe and Kohlmeyer, Axel and Santuz, Hubert and H{\\'e}nin, J{\\'e}rôme},\n"
|
138 | 138 | " title = {Expanded Functionality and Portability for the Colvars Library},\n"
|
139 | 139 | " journal = {J. Phys. Chem. {B}},\n"
|
140 |
| - " volume = {0},\n" |
141 |
| - " number = {0},\n" |
142 |
| - " pages = {null},\n" |
| 140 | + " volume = {128},\n" |
| 141 | + " number = {45},\n" |
| 142 | + " pages = {11108--11123},\n" |
143 | 143 | " year = {2024},\n"
|
144 | 144 | " doi = {10.1021/acs.jpcb.4c05604},\n"
|
145 | 145 | " pmid = 39501453,\n"
|
|
545 | 545 | feature_count_[std::string("Multi-Map collective variables")] = 0;
|
546 | 546 | feature_paper_map_[std::string("Multi-Map collective variables")] = "Fiorin2020";
|
547 | 547 |
|
| 548 | + feature_count_[std::string("Colvars-GROMACS interface")] = 0; |
| 549 | + feature_paper_map_[std::string("Colvars-GROMACS interface")] = "Fiorin2024"; |
| 550 | + |
| 551 | + feature_count_[std::string("gspath colvar component")] = 0; |
| 552 | + feature_paper_map_[std::string("gspath colvar component")] = "Fiorin2024"; |
| 553 | + |
| 554 | + feature_count_[std::string("gzpath colvar component")] = 0; |
| 555 | + feature_paper_map_[std::string("gzpath colvar component")] = "Fiorin2024"; |
| 556 | + |
| 557 | + feature_count_[std::string("linearCombination colvar component")] = 0; |
| 558 | + feature_paper_map_[std::string("linearCombination colvar component")] = "Fiorin2024"; |
| 559 | + |
| 560 | + feature_count_[std::string("gspathCV colvar component")] = 0; |
| 561 | + feature_paper_map_[std::string("gspathCV colvar component")] = "Fiorin2024"; |
| 562 | + |
| 563 | + feature_count_[std::string("gzpathCV colvar component")] = 0; |
| 564 | + feature_paper_map_[std::string("gzpathCV colvar component")] = "Fiorin2024"; |
| 565 | + |
| 566 | + feature_count_[std::string("aspathCV colvar component")] = 0; |
| 567 | + feature_paper_map_[std::string("aspathCV colvar component")] = "Fiorin2024"; |
| 568 | + |
| 569 | + feature_count_[std::string("azpathCV colvar component")] = 0; |
| 570 | + feature_paper_map_[std::string("azpathCV colvar component")] = "Fiorin2024"; |
| 571 | + |
| 572 | + feature_count_[std::string("Custom functions (Lepton)")] = 0; |
| 573 | + feature_paper_map_[std::string("Custom functions (Lepton)")] = "Fiorin2024"; |
| 574 | + |
| 575 | + feature_count_[std::string("Scripted functions (Tcl)")] = 0; |
| 576 | + feature_paper_map_[std::string("Scripted functions (Tcl)")] = "Fiorin2024"; |
| 577 | + |
| 578 | + feature_count_[std::string("ABMD bias")] = 0; |
| 579 | + feature_paper_map_[std::string("ABMD bias")] = "Fiorin2024"; |
| 580 | + |
548 | 581 | feature_count_[std::string("Updated multiple-walker ABF implementation")] = 0;
|
549 | 582 | feature_paper_map_[std::string("Updated multiple-walker ABF implementation")] = "Fiorin2024";
|
550 | 583 |
|
|
620 | 653 | feature_count_[std::string("OPES explore or adaptive kernels")] = 0;
|
621 | 654 | feature_paper_map_[std::string("OPES explore or adaptive kernels")] = "Invernizzi2022";
|
622 | 655 |
|
623 |
| - feature_count_[std::string("Colvars-GROMACS interface")] = 0; |
624 |
| - feature_paper_map_[std::string("Colvars-GROMACS interface")] = "n/a"; |
625 |
| - |
626 |
| - feature_count_[std::string("gspath colvar component")] = 0; |
627 |
| - feature_paper_map_[std::string("gspath colvar component")] = "n/a"; |
628 |
| - |
629 |
| - feature_count_[std::string("gzpath colvar component")] = 0; |
630 |
| - feature_paper_map_[std::string("gzpath colvar component")] = "n/a"; |
631 |
| - |
632 |
| - feature_count_[std::string("linearCombination colvar component")] = 0; |
633 |
| - feature_paper_map_[std::string("linearCombination colvar component")] = "n/a"; |
634 |
| - |
635 |
| - feature_count_[std::string("gspathCV colvar component")] = 0; |
636 |
| - feature_paper_map_[std::string("gspathCV colvar component")] = "n/a"; |
637 |
| - |
638 |
| - feature_count_[std::string("gzpathCV colvar component")] = 0; |
639 |
| - feature_paper_map_[std::string("gzpathCV colvar component")] = "n/a"; |
640 |
| - |
641 |
| - feature_count_[std::string("aspathCV colvar component")] = 0; |
642 |
| - feature_paper_map_[std::string("aspathCV colvar component")] = "n/a"; |
643 |
| - |
644 |
| - feature_count_[std::string("azpathCV colvar component")] = 0; |
645 |
| - feature_paper_map_[std::string("azpathCV colvar component")] = "n/a"; |
646 |
| - |
647 | 656 | feature_count_[std::string("coordNum pairlist")] = 0;
|
648 | 657 | feature_paper_map_[std::string("coordNum pairlist")] = "n/a";
|
649 | 658 |
|
650 |
| - feature_count_[std::string("Custom functions (Lepton)")] = 0; |
651 |
| - feature_paper_map_[std::string("Custom functions (Lepton)")] = "n/a"; |
652 |
| - |
653 |
| - feature_count_[std::string("Scripted functions (Tcl)")] = 0; |
654 |
| - feature_paper_map_[std::string("Scripted functions (Tcl)")] = "n/a"; |
655 |
| - |
656 | 659 | feature_count_[std::string("torchANN colvar component")] = 0;
|
657 | 660 | feature_paper_map_[std::string("torchANN colvar component")] = "n/a";
|
658 |
| - |
659 |
| - feature_count_[std::string("ABMD bias")] = 0; |
660 |
| - feature_paper_map_[std::string("ABMD bias")] = "n/a"; |
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