Rudramani Pokhrel

2 Questions 4 Answers 0 Followers

Questions related from Rudramani Pokhrel

Anyone have experience with Replica Exchange Molecular Dynamics (REMD) in NAMD?

I want to run REMD in NAMD in a single GPU with 24 cores. I used the example code in NAMD CUDA version but it did not work. Is there any modifications to the code given in NAMD2.13 user Guide?

12 December 2019 8,214 2 View

From namd simulation how can we compare the solubility of differnet mutants of a peptide?

I want to compare the solubility of a peptide with various mutations. I have 200 ns run of nearly 100 variants.

06 June 2019 6,363 1 View