Dear Gromacs users, I am trying adding Na ions: genion -s ions.tpr -o 1lipidA_solv.g96 -p lipidA_gromacsBien.top -pname NA -np 2
But I get this error: Fatal error: No line with moleculetype 'SOL' found the [ molecules ] section of file 'lipidA_gromacsBien.top' I have check the .top file and I have defined "SOL" in the [ moleculetype ] section before [ molecules ] section: [ moleculetype ] ; molname nrexcl SOL 3 [ molecules ] ; Compound #mols MOL_1 1 SOL 4049 Also, I have checked the Gromacs manual and other Gromacs users discussion. However, I don´t know how to solve this error, because I think SOL is well defined in the .top file. I attach the .top file Could anyone help me? Any help would be appreciated. Best, C.
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