Anúncios

Evaluations

29 janeiro 2026, 14:17 Pedro Morgado

The final grades are announced in the folder "Grades"


MD Project Presentations

9 janeiro 2026, 17:16 Pedro Morgado

The final presentations will be held next week, on:

- Tuesday / Jan 13 (for the Tuesday groups), at 14h, in room Q4.2
- Thursday / Jan 15 (for the Thursday groups), at 13h30, in room Q5.1

Some instructions:
~ 20 min. presentation + 10 min. discussion for each group.
- Please send me, before the session: 1) the presentation file (powerpoint or equivalent); 2) the GROMACS files (.top, .itp, .gro, .mdp) needed to run one representative simulation from your final project.


Solvents for the final project

9 dezembro 2025, 18:48 Pedro Morgado

Some (compressed) folders with forcefield files for common solvents can be found in "Lab files/Solvents"


Virtual Machine for MD

12 novembro 2025, 15:47 Pedro Morgado

For the next lab class (Thursday, Nov 13), please download:


- The installation file for the Virtual Box software from https://www.virtualbox.org/ (choose the type of "host" according to your laptop)

- The disk image with the virtual machine (to be installed during the class):


for Windows PCs (and Intel CPU (older) Macs): https://tinyurl.com/4jss82pe

for newer Macs (with Mx CPU): https://tinyurl.com/yzvnxa9v



Molecular Dynamics - Classes

7 novembro 2025, 15:19 Pedro Morgado

The MD Classes will start next Monday, Nov 10th, as scheduled. We will meet at 14h, in classroom V1.25.

The MD projects, for learning and evaluation, will be conducted by groups of 3 students. Please group yourselves accordingly.