brunocuevas brunocuevas
brunocuevas
/ hills file
Created
November 14, 2018 08:09
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| 62495500 -1.41833977562407e+01 1.60000000000000e-02 1.00000000000000e-01 | |
| 62496000 -1.36135946312360e+01 1.60000000000000e-02 1.00000000000000e-01 | |
| 62496500 -1.36094205187175e+01 1.60000000000000e-02 1.00000000000000e-01 | |
| 62497000 -1.37398962096562e+01 1.60000000000000e-02 1.00000000000000e-01 | |
| 62497500 -1.36888516186350e+01 1.60000000000000e-02 1.00000000000000e-01 | |
| 62498000 -1.35815020729091e+01 1.60000000000000e-02 1.00000000000000e-01 | |
| 62498500 -1.39075154673556e+01 1.60000000000000e-02 1.00000000000000e-01 | |
| 62499000 -1.38605886295327e+01 1.60000000000000e-02 1.00000000000000e-01 | |
| 62499500 -1.40140401200840e+01 1.60000000000000e-02 1.00000000000000e-01 | |
| 62500000 -1.38144641094161e+01 1.60000000000000e-02 1.00000000000000e-01 |
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| Info: NAMD Git-2018-07-23 for Linux-x86_64-multicore | |
| Info: | |
| Info: Please visit http://www.ks.uiuc.edu/Research/namd/ | |
| Info: for updates, documentation, and support information. | |
| Info: | |
| Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005) | |
| Info: in all publications reporting results obtained with NAMD. | |
| Info: | |
| Info: Based on Charm++/Converse 60800 for multicore-linux64 | |
| Info: Built Mon Jul 23 12:36:38 CEST 2018 by bcz on atenea |
brunocuevas
/ gist:3441584d7fc944bb1b97c2dbd90ce487
Created
November 12, 2018 10:23
colvars configuration well-tempered metadynamics
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| # 12th Sept 2018 | |
| # META - 01 - NAMD/colvars | |
| # | |
| # Well-Tempered metadynamics + harmonic restraints | |
| # CV1 : Distance projected in the difussion axis | |
| # CV2 : Distance projected in the orthogonal plane of difussion axis | |
| # WT-Metadyn(CV1) | |
| # Harmonic(CV2) | |
| # | |
| #----------------------------------------------------------------------------- # |