Perhaps you need a less prehistoric compiler. Or the affinity-setting bug
fix in 4.6.3. Or both.
On Jul 17, 2013 6:25 PM, "Shi, Yu (shiy4)" wrote:
> Dear gmx-users,
>
> My problem is weird.
> My mdrun worked well using the old serial version 4.5.5 (about two years
> ago). And I have these top, n
Dear gmx-users,
My problem is weird.
My mdrun worked well using the old serial version 4.5.5 (about two years ago).
And I have these top, ndx, mdp, and gro files.
Basing on those old files, for the serial 4.6.2, the grompp works through,
resulting the .tpr file successfully.
After that when I m
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