Shubhashree Barik

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Questions related from Shubhashree Barik

What possible issue am I facing in this Alchemical FEP calculations using NAMD?

I am trying to run my tcl script for NAMD. Running separate MD simulation for each forward and backward runs. Forward run is fine however backward.inp abruptly terminates showing output only till...

18 June 2024 711 1 View

What is meant by the protein crystal structures obtained from uncultured bacterium on RCSF:PDB site?

While looking for my protein of interest, I came across PDB structures obtained from uncultured bacterium. How are these crystal structures different and what is the credibility of using these...

24 August 2023 5,280 0 View