[gmx-users] problem with MD

Dastmalchi dastmalchi.s at tbzmed.ac.ir
Mon Nov 3 10:03:01 CET 2003


Dear Anton

> Did you first do (in this order): EM and MD with position restraints?

Yes, that was the order, but I am not sure about the position restraints
bit. I followed exactly the tutorial.

> Where there any problems/errors/warnings/strange things during that?

AS the expected files were generated, I didn't really pay close attention to
this. However I attach the log file and will appreciate if you could kindly
let me there is something wrong with the EM.

Cheers, Siavoush
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