User Activity

  • Posted a comment on discussion General Discussion on GaMD

    Hello, Is there an option in the Pyreweighting-2D.py script to include black lines delimiting the colored areas in the 2D plots? I tried to include plt.countourf but it does look quite messy. The scalebar besides also looks too small. Thanks in advance, Alessandro

  • Modified a comment on discussion GaMD in AMBER on GaMD

    Hello, I got some questions that might be too basic or completely wrong. 1) To perform GaMD is necessary to first obtain a series of parameters that will be later written in the gamd-restart.dat and then start a new simulation from there? 2) I got a big system (1400 residues, membrane protein with disordered regions) but I have very low values of K0P and K0D .... in your paper you mentioned that the chingolin was stable at 0.17 K0D but I was wondering how you measure the stability of the system?...

  • Posted a comment on discussion GaMD in AMBER on GaMD

    Hello, I got some questions that might be too basic or completely wrong. 1) To perform GaMD is necessary to first obtain a series of parameters that will be later written in the gamd-restart.dat and then start a new simulation from there? 2) I got a big system (1400 residues, membrane protein with disordered regions) but I have very low values of K0P and K0D .... in your paper you mentioned that the chingolin was stable at 0.17 K0D but I was wondering how you measure the stability of the system?...

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alebarb7
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