On 02/06/2013 05:37 PM, Namita Dube wrote:
Hi,
There must be some kind of problem with your system.
have you tried using :
mdrun -s input.tpr -membed membed.dat -o traj.trr -c membed.pdb -e ener.edr
-nt 1 -cpt -1 -mn index.ndx -mp merged.top -v -stepout 100
what it says?
Thanks.
it stopped with errors.
not eough space for XTC?
However, when I run it in gromacs-4.5.6 by g_membed, it finished well.
best
Albert
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