From: Josh Vermaas (joshua.vermaas_at_gmail.com)
Date: Tue Feb 18 2020 - 15:37:22 CST
Minimization was not successful. You've got a long bond somewhere or bad
geometry that splits your geometry past adjacent patches, or at least that
is why I get global count errors. You'll see warnings in the log to this
effect.
-Josh
On Tue, Feb 18, 2020, 1:34 PM Francesco Pietra <chiendarret_at_gmail.com>
wrote:
> 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
>
>
This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:08 CST