[gmx-users] difficulty when I run mdrun

[Rahul Karyappa]

Dear all,

   When I run mdrun on a box containing a chain, surrouned by
water molecules, I am facing one critical problem. When I start the
simulation, the md.log file will get created. But after some time
(20-30 minutes) the md.log file acquires all the space remained on the
disk. It shows me md.log file size of 14.4 GB and still the simulation
is not complete. What may be the problem? I am stuck. PLease help me
out.

Thanking you in advance.


Rahul Karyappa

NCL, India





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