[gmx-users] md-vv run with the Nose-Hoover thermostat crashed..
mark.j.abraham at gmail.com
Fri May 23 16:37:05 CEST 2014
First, find something out. Does the installation work for any other
simulation? What does the log file say? Have you equilibrated your system
first? Does another integrator or thermostat work?
On Fri, May 23, 2014 at 3:54 PM, Yu Ogawa <ayogwa at gmail.com> wrote:
> Hello gmx-users,
> I tried to run a simulation to calculate a specific heat capacity of
> infinite molecular crystal with the md-vv integrator and Nose-Hoover
> thermostat on ver 4.6,
> but it crashed immediately with only the message of Segmentation fault.
> Does anyone have a similar experience or any good ideas for this problems?
> I would appreciate very much if somebody gives any comments on this matter.
> Thank you,
> Yu OGAWA, PhD
> Cermav-CNRS, Grenoble, France
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