AMBER Archive (2005)

Subject: AMBER: sander run

From: YoungJin Cho (young.j.cho_at_vanderbilt.edu)
Date: Mon May 02 2005 - 15:45:01 CDT

If you got following error message in .out file for your rmd
calculations, what would be your recommendations? Thanks in advance.

YJ

"The system has extended beyond the extent of the virtual box.
Restarting sander will recalculate a new virtual box with 30 A extra on
each side, if there is a restart file for this configuration.
SANDER BOMB in subroutine Routine: map_coors (ew_force.f)
Atom out of bounds. If a restart has been written, restarting should
ressolve the error."

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