GROMACS version:2019.4
GROMACS modification: No
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Dear Gromacs users.
I have a problem when i try to add ions to the system for runing a protein molecular dynamics in water:
Fatal error:
number of coordinates in coordinate file (cbd211_solv.gro, 59759)
does not match topology (topol.top, 78898)
Can you help me to solve this problem? I try many actions that i see in research gate but these not resolve.
Im facing the same issue with gromacs 2020.3.
Unable to find what is wrong, and number of solvent added is correct too.
You haven’t accurately kept track of everything in your system. The answer to this question is always the same.
true…i was doing multiple proteins in solvent. solvent molecules matches, but proteins were still 1 when i had added 6 into the system.
Check the topol.top. Have you added the number of molecules for each residue there?
Another silly mistake which I did a few days back was using an all atom co-ordinate file with united atom top file in gromos force filed and I was kept wondering why doesn’t they two match.