[gmx-users] problem with REMD run continuation

Hi, I need to run a replica exchange md simulations of a peptide with implicit solvent and noe-distance restraints with 8 replicas and the -maxh option (the full command is mpirun -np 8 mdrun_mpi -maxh 0.5 -cpt 2 -multi 8 -replex 1000 -v -pd -s gbsa_md1_.tpr -o gbsa_md1_.trr -c gbsa_md1_.gro -e

[gmx-users] gmxtest failure on a phenom machine

I am testing gromacs 3.3 with lam 7.1.1 on a phenom box with fedora core 8 (old code version of gromacs and lam needed to preserve homogeneity with the other older opteron boxes in a pc cluster). gmxtest (for 3.3.2) passes almost all tests when run on 1 to 3 cores (with -np 1-3 option) (failure on