[gmx-users] No line with moleculetype 'SOL' found the [ molecules ] section
Gonzalez Fernandez, Cristina
cristina.gonzalezfdez at unican.es
Tue Jun 19 09:59:52 CEST 2018
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:
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
[ molecules ]
; Compound #mols
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.
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