Hello,
I have just realized that an existing checkpoint file will not be used
as input to mdrun when its name is supplied via -deffnm but not
directly via -cpi. I suppose that this makes sense for backward
compatibility, and the mdrun -h "-cpi state.cpt Input, Opt.
Checkpoint file" optional definition makes it retrospectively obvious.
In spite of the fact that this appears to be an intended feature, I
thought that I'd post it to reduce the chance that anybody else will
make the same mistake, especially if you automate your resubmission
procedure.
Chris.
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
