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ProzacR

plumed_PHE43_metadinamika_wt.dat Cx50

Feb 9th, 2018
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  1. #PHE43 CZ poros:
  2. DISTANCE ATOMS=666,11667 LABEL=d1
  3. DISTANCE ATOMS=4333,15334 LABEL=d2
  4. DISTANCE ATOMS=8000,19001 LABEL=d3
  5.  
  6. metad: METAD ARG=d1,d2,d3 PACE=1 HEIGHT=2.4 SIGMA=0.7,0.7,0.7 FILE=HILLSwt BIASFACTOR=100 TEMP=300.0
  7.  
  8. PRINT ARG=* STRIDE=10 FILE=COLVAR_PHE43_metadinamikawt
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