How to rectify coordinate file mismatches in solv.gro and topol.top file

User discussions
1

GROMACS version: 2021.3
GROMACS modification: Yes/No
Here post your question : how to rectify number of coordinates in coordinate file (solv.gro, 197725) does not match topology (topol.top,2731).

Thanking You,

Shravan Kumar G

2

Hi, Check up your topology file. The [ molecules ] section of your topology contains 2731 atoms, whereas the *.gro file contains 197725 atoms.
\ Alex

3

Hi
Did you figure it out. But in my case the topol.top file has an extra solv than solv.gro file