[gmx-users] problem with MD and docking

Maximiliano Figueroa Y maxfigue at udec.cl
Sat Jul 3 23:08:42 CEST 2004

Hi all.

I am doing a bonded docking  for testing a docking software. The docking
software work fine (rms 2.5 A), but I want run a MD at this complex, but
when I run the MD, that fault, the molecule is broken. Wherever when I
run de MD for original complex (complex before the bonded docking) the
MD run fine. What is wrong?


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