GROMACS modification: Yes/No
Here post your question
I have an error wich says moleculetype SOL is redefined
i dont understand what does it mean
i will be thankful if you help me
My guess is that you double define the moleculetype SOL. To understand better what is the issue. Can you provide when the error occurs and the exact error message?
Also can you tell if you have made some modifications to the force field?
that problem has already solved but I have another problem when I want to do energy minimization i take this error :
step 15: Water molecule starting at atom 3025 can not be settled.
Check for bad contacts and/or reduce the timestep if appropriate.
do you know how should I solve it?
many thanks for your kindness .