From: faride badalkhani (farideh.khamseh_at_gmail.com)
Date: Thu Dec 01 2016 - 15:21:03 CST
Dear NAMD users,
I am performing MD simulations on a polymer in water. I performed 20000
steps of minimization (time step : 1 fs) and then 2 ns of NVT simulations
without any problem. Then I wanted to change the ensemble to NPT, but I got
the following error:
Low global exclusion count errors!
I wonder if the system is unstable because it has been running without
getting error for 2 ns before going to NPT simulation.
P.S. The structure includes an alkyne group that I got its parameters from
CHARMM GENERAL force field, but there is no dihedral types in CGen FF for
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