Thanks Francesca but even after commenting out the coupling parameters in the
mdp file if I run mdrun without the '-coarse' option I still get the error
that the xtc file cannot be written.
However like I mentioned I am running my simulations with a newer version of
Gromacs after releasing the re
Hi Sheeba,
with time I understood why it was happening. Check in the mdp file if you
still have the parameters to couple with the coarse grained file and
comment them. If they are present in the mdp file then mdrun looks for the
coarse grained file.
Hope this will be helpful
Francesca
2012/8/28
Hi, I have been working on the reverse transformation and I had the same
problem with mdrun generating the error:
Can not open file:
coarse.xtc
However this happens only when I use mdrun from the modified 3.3.1 version
without the '-coarse' option, which is similar to what Francesca vitalini
had
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