[gmx-users] Grompp not producing tpr files

Israel Estrada israele at cpp.edu
Wed Jun 12 18:42:28 CEST 2019


Hello users,


I'm running into problems trying to grompp; I'm using the command


gmx grompp -f ions.mdp -c etc_box.gro  -o ions.tpr -p topol.top


and the process shows no error messages, but output files are not being generated. I'm running this on a small molecule, about 20 atoms, with the hopes that I can modify OPLS parameters as needed. I'm sure the problem is related to an error in the topology files, but I don't know how or if I can fix this.


Any help would be greatly appreciated, thank you!

-Israel


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