thank you justin in papers net charge of peptide is calculated +1,with amidated in terminal. that I defined with flag -ter in pdbf2gmx .and when I add tfe in system I see in pdb files lys is changed LYSH.
best -- sh-karbalaee _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
