Hi everyone,
When I use gmx energy to extract pressure for stress calculation from .edr
file,
I see those options: 15.PRESSURE, ..., 33.PRESS-XX, 34.PRESS-XY,
35.PRESS-XZ, 36.PRESS-YX, 37.PRESS-YY, 38.PRESS-YZ, 39.PRESS-ZX,
40.PRESS-ZY, 41.PRESS-ZZ.
1. What is the relation/difference between
Respected Researchers,
I have six i7 computers with 4 physical cores and each core with 2 threads
and all are connected with LAN. Therefore, I want to run the GROMACS in
parallel (cluster).
I have successfully mounted them using ssh, nfs and OpenMPI.
Afterwards I successfully installed GROMACS
Respected Researchers,
I have six i7 computers with 4 physical cores and each core with 2 threads
and all are connected with LAN. Therefore, I want to run the GROMACS in
parallel (cluster).
I have successfully mounted them using ssh, nfs and OpenMPI.
Afterwards I successfully installed GROMACS
Dear all,
I want to concatenate some gro file to have a trr or xtc trajectory file
out of them as gro files are also acceptable as input files, according the
gmx trjcat man page;
Options to specify input files:
-f [<.xtc/.trr/...> [...]] (traj.xtc)
Trajectory: xtc trr cpt *gro*
Dear all,
I would like to perform an equilibration of system in which the protein is
on DOPC bilayer surface. I have two questions regarding the .mdp file, I
would be very grateful if you can help me with them.
1. Should I couple separately the tc-grps: Protein_DOPC SOL_CLA_SOD? like
in the case
