[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
--
sh-karbalaee
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