Hi All,
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
when i run gromacs simualtion grompp DOES NOT gave a warning:
System has non-zero total charge: -6 ( i have six peptides)
i tried neutralising the system, since that the peptides have an extra -1
charge per peptide.
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
so i dont understand how by adding 6 positive ions that cause the negative
charge??
thank you so much for your help
FZ
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
