Kaitlyn Swayze

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Questions related from Kaitlyn Swayze

Does GROMACS gmx trjconv sometimes leave a split in a protein?

I have been processing some trajectory files from my molecular dynamics simulation using GROMACS by removing pbc, which often requires a sequence of gmx trjconv steps. This time, my protein...

31 December 2020 987 4 View

GROMACS: No more replaceable solvent! Error

Hi All, I am currently using GROMACS to simulate high salt concentrations but I am running into an issue with gmx genion. If I have a 30x30x30nm box and want to use -conc to bring it to say 4M,...

01 January 1970 8,302 2 View