Juliette N. wrote:
Hello all,
I have a quick question about extracting energy values from g_energy. I
used an old trajectory to extend my simulation from 1 ns to 5 ns. Energy
values from extended run do not take into account values of the first 1
ns. Is there any way to combine energies of these two runs? or I should
take the average of desired observables by hand?
Use eneconv to concatenate the .edr files.
-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 [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
