[gmx-users] mismatch in coordinate and topology

Justin A. Lemkul jalemkul at vt.edu
Fri Oct 21 21:55:43 CEST 2011

Samrat Pal wrote:
> Hi Justin,
> No. I have not added any ions.

Well, then it's a complete mystery.  You'll have to go through your coordinate 
file and topology and count the relevant number of molecules or atoms and decide 
for yourself where the mismatch comes from.  Nothing that you've provided 
explains where the problem comes from.



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


More information about the gromacs.org_gmx-users mailing list