tdudgeon simple-simulate-complex issues - Githubissues

tdudgeon / simple-simulate-complex

Simple protein-ligand complex simulation with OpenMM

73 stars 16 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

Is it possible to put Protein as a Ligand ?

#8 parkjooyoung99 opened 1 month ago
1
Is the prepareComplex.py code in the "Protein and ligand preparation" section correct?

#7 Shredderroy opened 2 months ago
5
Separated complex in simulation results

#6 ivandon15 opened 5 months ago
2
Questions about time?

#5 syedzayyan closed 5 months ago
1
How to calculate the binding free energy after the simulation?

#4 microbenh closed 3 years ago
1
Protein moves out of the water box

#3 Bio-tx closed 3 years ago
5
error in the complex MD

#2 mrinal-shekhar closed 3 years ago
1
Fix issues with complex setup

#1 jchodera closed 4 years ago
0