Justin A. Lemkul wrote:
גדעון לפידות wrote:
Hi all,
I was wondering if there is any way to take an MDrun done on Gromacs
4.0.7 and converting it so it is compatible with Gromacs 4.5.4.
You will have to recreate the .tpr file since the file format has
changed. Trajectory and coordinate files are version agnostic, so you
can perform whatever analysis you like under the newer version on .xtc,
.trr, .gro, etc. The .edr file will not be compatible under the newer
version and there is no way to convert it.
I based this answer presupposing that you want to run simulations using 4.5.4
using information from 4.0.7. Newer versions can read older formats, but they
cannot append (in the case of the .edr file) and there may be other assorted
issues. All analysis should work fine, though.
-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
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