Re: [gmx-users] No line with moleculetype 'SOL' found the [ molecules ] section

2018-06-21 Thread Gonzalez Fernandez, Cristina
Dear Justin, Thank you for your suggestion. I have solved the problem! C. -Mensaje original- De: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] En nombre de Justin Lemkul Enviado el: jueves, 21 de junio de 2018 1:11 Para:

Re: [gmx-users] No line with moleculetype 'SOL' found the [ molecules ] section

2018-06-20 Thread Justin Lemkul
On 6/19/18 3:59 AM, Gonzalez Fernandez, Cristina wrote: 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

[gmx-users] No line with moleculetype 'SOL' found the [ molecules ] section

2018-06-19 Thread Gonzalez Fernandez, Cristina
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