[gmx-users] md-vv run with the Nose-Hoover thermostat crashed..

[Yu Ogawa]

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

Yu OGAWA, PhD
Cermav-CNRS, Grenoble, France