[gmx-users] error NH2 in C terminal

shahrbanoo karbalaee shahrbanoo at gmail.com
Thu Oct 2 09:42:52 CEST 2008

Dear Justin
Thank you for your advice.
there is NH2 in c terminal  sequence peptide  but when I do pdb2gmx I
get error.I delete NH2  by hand and do pdb2gmx -f  name.pdb -ter  and
choose none in c terminal .when I see top file I see NH2 add in C
terminal.Is it correct?
and  another  way I use missing in command pdb2gmx .I get top file
similar to first top(according  delet NH2).Please advise me,what is
differnce top files  with  two way and which one is  better I choose?

thanks again

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