MSMD - Githubissues

keisuke-yanagisawa / exprorer_msmd

MSMD (mixed-solvent molecular dynamics) engine and analysis tools

MIT License

15 stars 2 forks source link

MSMD #18

Open keisuke-yanagisawa opened 1 year ago

keisuke-yanagisawa commented 1 year ago

A work for object-oriented coding

It should have

simulation sequence
several general settings for md engine

It should do

create bash file to run simulation
execute the simulation bash file