[gmx-users] Unusual bond

Alexander Alexander alexanderwien2k at gmail.com
Wed May 25 12:47:48 CEST 2016


Dear Gromacs user,

The VMD report below warning when I load my minimized ".gro" structure;

Warning) Unusual bond between residues:  13724 (none) and 22887 (waters).

The VMD does not report any warning when I load my structure "gro" file
before energy minimization, but when I minimized it in orde via "steep and
cg" integrator, this shows up for the final structure while the force has
already met the criteria and potential also nicely shows a negative
convergence.

I was wondering if this warning has something to be worried about?

Thanks.

Cheers,
Alex


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