Sara baretller wrote:
Hi justin
in the tutorail you have
It is not necessary to run a complete energy minimization procedure on
the bilayer, although you can if you want. The .tpr file contains
information about bonding and periodicity, so it can, in a sense, be
used to reconstruct "broken" molecules.
when i tried using the minimized gro file i go this error
Fatal error:
Structure or trajectory file has more atoms (3655) than the topology (1792)
For more information and tips for troubleshooting, please check the GROMACS
The contents of your topology do not match the structure file. I don't know
what's wrong. Presumably, if you have created a .tpr file to do energy
minimization, you have a self-consistent coordinate file and topology. Either
you're using the wrong files or you've made a modification to the topology that
has messed it up. I can't guess which.
-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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