[gmx-users] query against box collapsed in case of tightly bound ligand
devawatidutta at gmail.com
Sat Feb 26 12:20:17 CET 2011
Thank you for your suggestion regarding coulomb type and
LIE method. I have successfully done the job. But now I am facing another
type of problem. I am performing
simulation of a protein ligand complex where the ligand is
sitting deep inside the grrove of the protein. When I have done the
molecular dynamic simulation , its
showing an error as : Number of grid cells is zero.
probably the system and the box collpased. I have searched through the
mailing list, but I failed to get a proper
answer. I have run the simulation in discovery studio and
the simulation was successfully done.Please suggest me in this regard.
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