Alessandro Nicoli

HTMD problem import

5

Dear acellera group, Today I tried to use htmd via conda and it was not able to import htmd due to the error (please see below). Two days ago it...

ACEMD3 and RTX4070ti

4

Dear Developers, We have bought a new GPU NVIDIA GeForce RTX4070Ti. We are strugling to run acemd3 that is give the following error: Do you know how to overcome this...

from Equilibration NPT to production NVT

6

Dear openMM developers, I am writing my first scripts to run MD simulation with openMM, also following other examples from the community. Basically, we run an equilibration in the NVT...

XlsxWriter error

1

Dear @gph82 I have installed mdciao in a new conda enviroments. I have tried to compute the interface between two proteins. However, I encountered the following error: ``` AttributeError: 'XlsxWriter'...