Carla Jamous wrote:
Hi everyone,
In my .mdp MD file, I didn't put "pbc =xyz". Then, I used tpbconv and
mdrun to continue my simulation.
My question is: did I run my simulation using periodic boundary
conditions because I have the impression that I did but I'm not sure if
not using the mention "pbc" in my mdp file means that I didn't use PBC?
pbc=xyz is the default if not specified. Check your mdout.mdp and md.log files
to be sure.
-Justin
Thanks
Carla
--
========================================
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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