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brunocuevas / gist:3441584d7fc944bb1b97c2dbd90ce487
Created November 12, 2018 10:23
colvars configuration well-tempered metadynamics
# 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)
#
#----------------------------------------------------------------------------- #
@brunocuevas
brunocuevas / output_wtmetad
Created November 13, 2018 16:14
output of a weird simulation
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
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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