Stefan Hoorman wrote:
Ok. The histogram is the actual result. As I said, my windows are all
there, all the reaction coordinates I mentioned before are there to be
analysed and in the correct order, but the result comes always the same
way. This histogram is the actual result.
Then all your sampling is occurring in one window. That's your problem. I
don't know how you're generating your inputs for the different windows, but
likely something is going wrong there.
I will try pulling in only one direction then. Should have the results
in a few days.
Probably won't make a difference. The problem more likely lies in what I've
described above.
-Justin
Thank you
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://lists.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 gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://lists.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 gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
