cause of the large size of the peptide I am pulling inside the
>>> membrane. For now I am thinking to extract coordinates from the trr file
>>> and from them compute the pulling harmonic forces. But not an ideal
>>> solution.
>>> Thanks
>>> Alfredo
>
-const -ansi-alias
Running on 7 nodes with total 112 cores, 112 logical cores
Cores per node: 16
Logical cores per node: 16
Thanks for any help
Alfredo
Alfredo E. Cardenas, PhD
Institute of Computational Engineering and Sciences (ICES)
1 University Station, C0200
University of
