From: maryam atabay (matabay2010_at_gmail.com)
Date: Mon Nov 24 2014 - 05:08:04 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. Email: Atabay_at_azaruniv.edu
This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:23:03 CST