On 03/05/2013 03:50 PM, Mark Abraham wrote:
... and your GROMACS version!
4.6 running on nodes with NVIDIA Keppler K10 and Intel E5 CPU
Mark
On Tue, Mar 5, 2013 at 3:11 PM, Justin Lemkul<jalem...@vt.edu> wrote:
On 3/5/13 4:41 AM, sebastian wrote:
On 03/04/2013 09:47 AM, sebastian wrote:
Hi Gromacs user,
when I try to extend on of my simulations with
mdrun -deffnm pdz_cis_NVT_disre_equi_3 -cpi
pdz_cis_NVT_disre_equi_3.cpt -append
I get the following error
Fatal error:
Count mismatch for state entry disre_rm3tav, code count is 0, file count
is 13
and have no idea whats wrong.
I tried the same thing for a second simulation and get the same error. It
seems
that this error is connected with restraints. Extending the same
simulation
without any restraints everything is working perfectly fine.
Any suggestion is very much appreciated
I would suggest filing a bug report on redmine.gromacs.org. Please
include all files necessary to reproduce the problem.
-Justin
--
==============================**==========
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
==============================**==========
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