I built up a box of polymer with box size 20x20x20 and then solvate the box with water using Genbox. Thus the total atom number exceeds 99999 and I found that the atom number starts from zero when it exceeds 99999. Does it matter for the ongoing command "grompp" and "mdrun"? Thanks.
Yours Sincerely,
WU Yanbin
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WU Yanbin
Department of Mechanical Science and Engineering Email: [EMAIL PROTECTED]
3323 Beckman Institute Phone: (217)819-9064
University of Illinois at Urbana-Champaign
405 N. Mathews Avenue
Urbana, IL 61801
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