[gmx-users] About -chainsep and -ter

[Hsin-Lin Chiang]

>I suspect this is a bug, so I have filed an issue on redmine:
>
>http://redmine.gromacs.org/issues/784
>
>In a previous issue (http://redmine.gromacs.org/issues/544), the "-chainsep 
>interactive" option did not work, but now it does. Conversely, "-chainsep ter" 
>(which should also work in this case) does not.
>
>-Justin

I get success in pdb2gmx, but I not only delete ter line but also all OXT lines according to this mailing list,

http://www.mail-archive.com/gmx-users@gromacs.org/msg33251.html

But I'm failed when I used mdrun in "-chainsep ter" case.

Hsin-Lin

 
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