Fwd: question about CUDA-enabled

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 : Thu Dec 31 2015 - 23:21:24 CST