From: Bibekananda Rabha (rabhabibekananda_at_gmail.com)
Date: Thu Jan 27 2022 - 07:59:46 CST
sir
I'm trying smd simulation of peptide and used gaff parameter. but my
pulling force may so high my peptide went out of the box.
And error comes like shown below------------>
ERROR: Margin is too small for 1 atoms during timestep 258761.
ERROR: Incorrect nonbonded forces and energies may be calculated!
ERROR: Atom 270 velocity is 1117 29028 7714.62 (limit is 14000, atom 7 of
87 on patch 41 pe 2)
ERROR: Atoms moving too fast; simulation has become unstable (1 atoms on
patch 41 pe 2).
FATAL ERROR: Exiting prematurely; see error messages above.
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