Hi users,
Why am I getting following error. Normally, we don't use iwrap. I started
the simulation from the previous rst file but when simulation reached to
this time it gives following problem again.
Should I use iwarp=1 from that segment onwards then there is no problem?
Thanks for any suggestion.
With regards,
Sunita
===============================================
Flags: MPI
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
ERROR: Problem reading coordinates or velocities from md_83ns.rst
I could not understand line 3880 :
173.0120895-191.0642753************ 172.8963388-190.5243765************
*s in the inpcrd file often indicate an overflow of the Fortran format used
to store coordinates in the inpcrd/restart files. This often happens when
coordinates are not wrapped into the center cell (when iwrap = 0) and some
particles diffuse too far away. Try restarting from your last good restart
file and setting iwrap=1 or using a NetCDF restart file format. See the
Amber manual for details
===============================================
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Received on Thu Apr 24 2014 - 05:30:03 PDT
