Hi everybody, I tried to run a minimization just of the hydrogen of a membrane protein. I want to do this in vacuum.
But when I started the run with mpirun mdrun_mpi -deffnm protein -v -nt 2 I get the error that there is a segmentation fault. But when I only type mpirun mdrun_mpi there is no problem so I guess that my already produced input files are the problem. For example I am not completely sure about the .mdp file. Can you please give me an example for a .mdp file for a minimization of only the hydrogen but not the whole protein in a vacuum. Thank you, Eva -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
