Ropón-Palacios G.
Ropón-Palacios G.
Dear all, I like make a custom color as boxshade tool  I try make with custom color, but when use it not given desired output
What happens is that I directly use this PDB in NAMD, but it gives me an error: "Warning: poorly guessed coordinate for atom HB1 SER:469 AP1." So, this is only...
Dear all, I'm experience the following mistakes: 1) I have prepared my system using charmm-gui (protein-ligand). when I run the equilibration step the target temperature is in average 309 K...
Dar, I'm try use it as an python module to use it into jupyter notebook or scripts, please can given me any example to do it? Geo.
Dear, I am experiencing an error, which I think is simple to fix. What happens is that when you balance your system independently, and use the reset files to prepare...
I'm trying to run geometric route, and it recommends doing a layering, but I don't know how to do this, is there any basis for this? Geo.
Dear, I've a doubt, I want to built a viral envolpe of diameter 500 Ansgtrom and I have the proteins shell built using biomt tranformation. How can I make it?...
The review is very good, but there are many gaps when it comes to defining the basic terms that are the basis of everything expressed in the different methods. These...
Hi, I'm trying to use the pmap method : In [7]: pt.__version__ Out[7]: '2.0.5' traj = pt.iterload("04_MD/MD_r1.dcd", "files/MD_QwikMD.psf") pt.pmap(pt.radgyr, traj, n_cores=4) error: --------------------------------------------------------------------------- TypeError Traceback (most recent call last) in...