VMD-L Mailing List
From: maryam atabay (matabay2010_at_gmail.com)
Date: Mon Nov 24 2014 - 03:08:43 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.
Ph.D in Nano Computational Chemistry,
Molecular Simulation Lab, Azarbaijan Shahid Madani University, Tabriz,Iran.