Tokumei Kibou

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Questions related from Tokumei Kibou

Is there any md software that can run replica exchange Molecular Dynamics(REMD) on single processor with GPU acceleration?

I have a computer with one CPU (Intel Xeon Gold 6134 Octa-Core 3.20 GHz Processor) and GPU (Nvidia RTX 2070). I want to perform temperature replica exchange Molecular Dynamics on this machine,...

12 October 2021 7,831 5 View

How should I resolve overlapped amino acid in PDB file ?

I generated the predicted structure of a dimer of proteins using AlphaFold2, but it has overlapped amino acids like the picture. (PDB file:...

01 January 1970 5,612 3 View