nitu sharma wrote:
Dear Justin
but even after doing this when i I have tried to do second step of
inflategro i.e energy minimisation step I got the error like this--
Fatal error:
number of coordinates in coordinate file (inflated_dmpc.pdb, 13253)
does not match topology (inflated_dmpc.top, 15395)
-------------------------------------------------------
So can you suggest me what possible modification make it successfully
completed.
please If you have any idea let me know.
This is a pretty explicit error message. The existence of the list
doesn't absolve you of the need to think about what you are doing and
what might have gone wrong :-) Here, you need to observe what is in the
coordinate file, compare that with what is in the .top file, and see
what is causing a 2000-atom discrepancy.
Mark
_______________________________________________
gmx-users mailing list [email protected]
http://www.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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
