Dear all,
I am a beginner using gromacs. when I start to run gromacs, the calculation
always stop in grompp due to fatal error was appeared. the information below
the fatal error is "number of coordinates in coordinate file
(minimized_water.gro, 26791) does not match topology file (aki.top, 1555)". but
when I try to look aki.top file, there are already 1 molecules of protein, 78
molecules of SOL and 8412 molecules of SOL in the end of this file, so I think
topology file must contain more than 1555 atom. I have already change .mdp file
manually using gedit because I see in internet this error can also occur
because .mdp file has been edited under Windows, but the problem still occur.
is there any help or suggestion?
thank you for your help.
Best regards,
Arie
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