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hello Gromacs users,<BR>I have some problems about the total charge of system using Gromacs.<BR>I wanted to perform molecular dynamic simulation in box of SPC water. <BR>
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before energy minimization step , I performed the preprosessing step using grompp . However, there’s a note that : System has non-zero total charge: 2.570000e+00 “.<BR>why the total charge of system is not an integer?<BR>
thank you<BR>
nejoua DRICI <BR><BR><br /><hr />Messenger débarque dans Hotmail ! <a href='http://www.windowslive.fr/hotmail/web-messenger/' target='_new'>Essayez-le !</a></body>
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