atom moving fast error in Coarse grained simulation: even reduced the time step

From: Rabeta Yeasmin (
Date: Mon Aug 06 2018 - 14:30:40 CDT

Dear NAMD Users,

I have been running few protein-water system in coarse-grained simulation,
which I have converted from all-atom system using residue-based coarse
grained system. But the simulation is crushing in frequently even I
increased energy minimization steps. The error message is-

ERROR: Atoms moving too fast; simulation has become unstable (2 atoms on
patch 434 pe 1).
ERROR: Exiting prematurely; see error messages above.

According to the suggestion from some of the post in NAMD forum, I have
decreased timestep from 10fs to 5fs. But the system is still crashing after
running a while. Can anyone please suggest me what should I do?


Rabeta Yeasmin

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:20:10 CST