Leonardo Bruno Federico

4 Questions 4 Answers 0 Followers

Questions related from Leonardo Bruno Federico

Why doesn't my calculation start when I use 2 GPUs ?

Hello everyone, I have been trying to simulate a protein in water, but the following error appears: Fatal error: Too many LINCS warnings (1436) If you know what you are doing you can adjust the...

27 December 2021 4,090 2 View

Using forcefield AutoDock4 in Python scripting Autodock Vina is the same as using Autodock4?

I am trying for the first time to use Autodock4 and Autodock vina. I found the Python scripting for Autodock Vina and in the first example, there is this sentence "In the case, you want to use...

04 May 2021 2,843 4 View

Is anybody working with fragments based on drug discovery? What software do you use for docking and linked fragments?

Fbdd

13 December 2013 1,919 1 View

GROMACS - Too many LINCS warnings -> When used 2 GPUs

Hello everyone, I have been trying to simulate a protein in water, but the following error appears: Fatal error: Too many LINCS warnings (1436) If you know what you are doing you can adjust the...

01 January 1970 8,027 0 View