[gmx-users] About -chainsep and -ter

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 21 17:49:26 CEST 2011

I suspect this is a bug, so I have filed an issue on redmine:


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.


Hsin-Lin Chiang wrote:
> **> Please post a diff of the two topologies (the one that failed and 
> the one that
>  > worked).
>  >
>  > -Justin
> I use diff bash commend on the two top file and save to log file.
> The different was long but they both have three inter-disulfide bond
> There are 3973 lines in different log file. 
> I'm not sure if I can post all here.
> Do we have another way to discuss?
> Sincerely yours,
> Hsin-Lin


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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