GROMACS version: 2023.1
GROMACS modification: No
Why when I run equilibration in Gromacs an mdout.mdp file is generated? I use my my own nvt.md and npt.md files as the input ones (parametrs in files specified for Charmm force field as listed in Gromacs documentation. Does it mean some problems with npt.md or nvt.md files or something else?
You will always get an mdout.mdp file from grompp as a full record of what all the input settings were. There are many keywords that are often left set to default values, so having a complete list is useful when checking integrity and compatibility of input settings or troubleshooting issues.
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