Justin A. Lemkul wrote:
It is possible this is a bug related to nst*out/energy/log being writing
every 50000 steps and assuming init_step = 0 (i.e. writing at 100 ps
rather than 240 ps, based on your initial settings). What version of
Gromacs is this?
Actually, this wouldn't be considered a bug. If you're telling grompp that
you've done 70000 steps previously, the input will then expect that these frames
exist, and the output is always written every nst*out/energy/log steps. Thus,
all intervals of the concatenated trajectory or energy files should have
consistently spaced frames. In your case, this is not true.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
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/Support/Mailing_Lists/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/Support/Mailing_Lists
