Hi Here is my pdb file. #!/bin/bash #PBS -l nodes=2 cat $PBS_NODEFILE echo Working directory is $PBS_O_WORKDIR cd $PBS_O_WORKDIR mpirun -np 2 g_energy_mpi -f minim_ener.edr -o minim_ener.xvg 11 0
Then, it showed Fatal error: No energy terms selected How to fix the problem Thank you Lin _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
