Anthony Cruz

Could you please let me know if what I did is correct... In the changelog, I added a new entry in current version 0.6 ??/??/2020 eloyfelix, renehamburger1993, acruzpr * 0.6.0...

Look at this: https://www.ks.uiuc.edu/Research/vmd/plugins/molfile/dxplugin.html or https://apbs-pdb2pqr.readthedocs.io/en/latest/formats/opendx.html#opendx

Hi, Sorry for the delay, but I was working. There are 2 things that you can try. The first option is to create a new Python environment with python=3.6 and...

You need to check out the *all_conda *branch that I created yesterday. *git clone https://github.com/KurtzmanLab/SSTMap.git * then from within the SSTMap repository *git checkout all_conda* Then you will see the...

You need to be inside the SSTMap directory to check out the branch. Also, you need to install numpy==1.17

Few questions: 1) How long is your simulation? 2) Which water model are you using? 3) What force field are you using? 4) Please, describe your system. What is inside...

Thanks! If you visit the Kurtzman lab webpage, you can get the paper. I highly recommend: 1. Kamran Haider, Lauren Wickstrom, Steven Ramsey, Michael K. Gilson, & Tom Kurtzman. "Enthalpic...

The MD engines are Amber or Desmond, but the principles apply to any MD engine. 1. Shall I need to restraint only protein? Or both protein and ligand. 1. It...

Thanks for answering my questions. Then you could find these 2 papers interesting: Nguyen, Crystal N., Anthony Cruz, Michael K. Gilson, & *Tom Kurtzman*. "Thermodynamics of Water in an Enzyme...