[gmx-users] make_ndx error
jalemkul at vt.edu
Sat Jan 26 19:41:33 CET 2013
On 1/26/13 1:30 PM, Albert wrote:
> On 01/26/2013 06:53 PM, Justin Lemkul wrote:
>> What exactly did you enter at the make_ndx prompt?
> protein, water and ions....
What types of ions do you have? I can reproduce this problem for a protein with
ions bound to it, which are numbered discontinuously with water and ions in
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users