Dear gmx-users,
I am simulating a dppc + chol system, the force field is martini
with gromacs 3.3.3 the system was initially run for 150 ns, but i had
to later extend the simulation, so using the confout.gro and with mdp
options:
gen_vel = no
unconstrained_start = yes
I gave a re-run for another 850 ns, now due to some interaction the
box explodes after 460ns of run.I found that the cause was due to some
unwanted bad contact.
It is important that the system continue from the previous state, but
the extension is leading to this bad contact.
My question is, is there a way to avoid this while retaining the
continuation of the previous simulation?
Is using lower precision file a solution to this problem? if yes how
do i go about it.
-Adwait
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