[gmx-users] avoiding bad contact in continutation run

Adwait Mevada adwait at imsc.res.in
Thu Jan 20 12:38:02 CET 2011

  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  
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.

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