Dear all, I have done 100ns md simulation of protein with drug using amber99sb.ff with gromacs-5.1.4 version. After simulation i found my protein broken into smaller parts in .gro file but when i load the final xtc file to pr.gro molecule does not break. I have applied -pbc nojump ,cluster and whole but unable to solve the problem. Will anyone help me to solve the above problem. Thanks in advance -- Gromacs Users mailing list
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