Brendan Booth

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Questions related from Brendan Booth

Unbiased ligand and Enzyme gromacs simulation; what is optimal interaction for covalent inhibition?

Greetings, I have created a number of 100ns ligand and enzyme simulations in which the simulation begins with my ligand within the binding pocket, then over the course of anywhere from 5-20ns the...

30 January 2021 3,789 2 View

How do you edit a m2p file to get nice Dssp images?

I am using the m2p file from https://ringo.ams.stonybrook.edu/index.php/MD_Simulation:_Protein_in_Water_(Pt._2) but my ss.jpg is looking pretty sad I am converting via imagemagick convert ss.eps...

18 January 2021 623 3 View

How to script VMD tcl within bash script?

Greetings, I want to run a vmd script within my bash script. I am using the text only version of VMD for linux for my windows terminal ubuntu subsystem and I would like to generate code within my...

17 January 2021 415 5 View