[gmx-users] TOPOLOGY AND GRO FILE ATOMS NAME MISMATCH
subashinik at hotmail.com
Sun Nov 4 14:04:45 CET 2018
Hi gromacs users,
For an organic molecule, the topology file was built using opls forcefield was obtained.
Using gmx insert command, the gro file containing 150 molecules of the same organic compound placed in a box was obtained.
Now the topology and gro file have non-matching atom names.
How to fix the error?
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