<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><br></div>Hi All,<br><br><br>I have a peptide that has three positive charged amino acids (LYS) and four negative charged amino acids (GLU) consequently it is a negative peptide. is that right<br>when i run gromacs simualtion grompp DOES NOT gave a warning:
System has non-zero total charge: -6 ( i have six peptides) <br><br> i tried neutralising the system, since that the peptides have an extra -1 charge per peptide. <br><br>however when i did add 6 NA to the system , after running the enrgy minimization there was an error that System has non-zero total charge: -6.000000e+00<br><br>so i dont understand how by adding 6 positive ions that cause the negative charge??<br><br>thank you so much for your help <br><br>FZ<br><br> <br></div></body></html>