Bad global bond count!

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Tue Feb 18 2020 - 15:07:46 CST

Re-sent, I forgot the subject
Hello
With a large system (RNA-protein in TIP3, Atoms: 1352778) after successful
minimization, first by restraining RNA and the protein, while minimizing
TIP3 MG ZN2 SOD, then without any restraint, at heating, with either
ts=0.5fs or 0.1fs the error arises

TCL: Running for 500000 steps
REASSIGNING VELOCITIES AT STEP 0 TO 1 KELVIN.
FATAL ERROR: Bad global bond count! (984320 vs 984325)

FATAL ERROR: See http://www.ks.uiuc.edu/Research/namd/bugreport.html

There is some precedent for such curious error, however unresolved
*From:* Peterson J (*peterson.jjjj_at_gmail.com*
<peterson.jjjj_at_gmail.com?Subject=Re:%20FATAL%20ERROR:%20Bad%20global%20bond%20count!>
)
*Date:* Wed Jun 12 2013 - 11:01:23 CDT

thanks for advice
francesco pietra

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