question about CUDA-enabled

From: maryam atabay (
Date: Tue Nov 25 2014 - 01:05:32 CST

Dear NAMD users:
I want to simulate protein and nanosheet in water with using cuda-enabled
in the NPT ensamble with fixed-coordinated nanosheet. The minimization and
heating stages was executed without any error but in the md stage I
encounter with following error:

FATAL ERROR: Periodic cell has become too small for original patch grid!
Possible solutions are to restart from a recent checkpoint,
increase margin, or disable useFlexibleCell for liquid simulation.
please help me. I will appreciate the oncoming helps.

Maryam Atabay
Ph.D in Nano Computational Chemistry,
Molecular Simulation Lab, Azarbaijan Shahid Madani University, Tabriz,Iran.

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