[gmx-users] Initial cell size is smaller than the cell size limit..
hmkvsri at gmail.com
Mon Jul 22 07:20:00 CEST 2013
While running a ligand bound MD using AMber03 force field. I got the
after ~ 4.9 ns
The initial cell size (1.247705) is smaller than the cell size limit
(1.586683), change options -dd, -rdd or -rcon, see the log file for details
Initially I ran using 64 nodes (till 3.3ns). later on I shifted the
trajectory to another
machine and ran using 8 cores. It ran fine till 4.926ns. Suddenly it
stopped with the above error.
Kindly provide some guidance.
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