[gmx-developers] mdrun -append default
hess at cbr.su.se
Mon Mar 8 15:57:03 CET 2010
mdrun in git master now by default has -append.
I added a check that the previous output files are present:
all present: append
none present: do not append
part present: fatal error
Note that Roland already implemented md5sum's some time ago,
so if the checksum of the last part of an output file does not match
the checksum stored in the checkpoing file, a fatal error is generated.
More information about the gmx-developers